COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION
FULL DB
Total number of items: 1633432
Total number of pages: 1634 ( 1000 items on each page )
Direct access:
STK555743
Synonyms: 3-(2,4-dichlorophenyl)-7-(4-methylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
Smiles: Cc1ccc(cc1)N1C(=O)CC2(C1=O)ON=C(C2)c1ccc(cc1Cl)Cl
STK555746
Synonyms: N-(3-methoxypropyl)-2,2-dimethyl-5-(2-methylpropyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-amine
Smiles: COCCCNc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)CC(C)C
STK555747
Synonyms: 3-[(1-ethylpyrrolidin-2-yl)methyl]-7-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: CCN1CCCC1Cn1cnc2c(c1=O)[nH]c1c2ccc(c1)OC
STK555749
Synonyms: 2-[4-(2,3,5-trimethylphenoxy)quinazolin-2-yl]phenol
Smiles: Cc1cc(C)c(c(c1)Oc1nc(nc2c1cccc2)c1ccccc1O)C
STK555750
Synonyms: 2-oxo-3-(quinolin-2-yl)-2H-chromen-7-ylcyclohexanecarboxylate
Smiles: O=C(C1CCCCC1)Oc1ccc2c(c1)oc(=O)c(c2)c1ccc2c(n1)cccc2
STK555751
Synonyms: 6-(2-chlorophenyl)-3-(3-ethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: CCOc1cccc(c1)c1nnc2n1nc(s2)c1ccccc1Cl
STK555752
Synonyms: 3-(2,5-dimethoxyphenyl)-5-(naphthalen-1-yl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: COc1ccc(c(c1)C1C2C(ON1c1ccccc1)C(=O)N(C2=O)c1cccc2c1cccc2)OC
STK555753
Synonyms: 5-(3,4-dichlorophenyl)-3-(4-methylphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Cc1ccc(cc1)C1C2C(=O)N(C(=O)C2ON1c1ccccc1)c1ccc(c(c1)Cl)Cl
STK555758
Synonyms: 3-(4-fluorophenyl)-5-(naphthalen-1-yl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Fc1ccc(cc1)C1C2C(ON1c1ccccc1)C(=O)N(C2=O)c1cccc2c1cccc2
STK555759
Synonyms: 6-(2,5-dimethoxyphenyl)-3-(3-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: COc1ccc(c(c1)C1=Nn2c(SC1)nnc2c1cccc(c1)OC)OC
STK555760
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(4-ethoxyphenyl)methylidene]-5-[(4-fluorophenoxy)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCOc1ccc(cc1)/C=N/NC(=O)c1nnn(c1COc1ccc(cc1)F)c1nonc1N
STK555761
Synonyms: 2-chloro-N-[6,6-dimethyl-1-(4-methylphenyl)-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]benzamide
Smiles: Cc1ccc(cc1)N1C2=C(C(C1=O)(NC(=O)c1ccccc1Cl)C(F)(F)F)C(=O)CC(C2)(C)C
STK555762
Synonyms: 3-(4-ethoxyphenyl)-6-phenyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: CCOc1ccc(cc1)c1nnc2n1nc(s2)c1ccccc1
STK555763
Synonyms: 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-1,3-dimethyl-8-(4-phenylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: OC(Cn1c(nc2c1c(=O)n(c(=O)n2C)C)N1CCN(CC1)c1ccccc1)COc1ccccc1C
STK555764
Synonyms: 2-{[5-(morpholin-4-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
Smiles: O=C(Nc1nccs1)CSc1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCOCC1
STK555767
Synonyms: 2-(benzylsulfanyl)-N-(furan-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-amine
Smiles: c1ccc(cc1)CSc1nc(NCc2ccco2)c2c(n1)sc1c2CCC1
STK555768
Synonyms: N-(3-methoxyphenyl)-2-{[5-(4-methoxyphenyl)-8,8-dimethyl-7,10-dihydro-8H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}propanamide
Smiles: COc1ccc(cc1)c1nc2CC(C)(C)OCc2c2n1c(nn2)SC(C(=O)Nc1cccc(c1)OC)C
STK555769
Synonyms: N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylidene]-2-(3-methyl-1H-pyrazol-1-yl)acetohydrazide
Smiles: COc1cccc(c1O)/C=N/NC(=O)Cn1ccc(n1)C
STK555770
Synonyms: 3-(1,3-benzothiazol-2-yl)-2-oxo-2H-chromen-7-yl3,4,5-trimethoxybenzoate
Smiles: COc1cc(cc(c1OC)OC)C(=O)Oc1ccc2c(c1)oc(=O)c(c2)c1nc2c(s1)cccc2
STK555771
Synonyms: 12-benzyl-9-(benzylsulfanyl)-6,6-diethyl-6,12-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Smiles: CCC1(CC)Cc2ccccc2c2c1c(=O)n1c(n2Cc2ccccc2)nnc1SCc1ccccc1
STK555772
Synonyms: (5Z)-5-(2-ethoxybenzylidene)-2-[4-(naphthalen-1-yl)piperazin-1-yl]-1,3-thiazol-4(5H)-one
Smiles: CCOc1ccccc1/C=C/1\SC(=NC1=O)N1CCN(CC1)c1cccc2c1cccc2
STK555773
Synonyms: N,N-diethyl-2-[(3-ethyl-6-iodo-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]propanamide
Smiles: CCN(C(=O)C(Sc1nc2ccc(cc2c(=O)n1CC)I)C)CC
STK555774
Synonyms: N-(2-chlorophenyl)-2-[(4-oxo-3-propyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]acetamide
Smiles: CCCn1c(SCC(=O)Nc2ccccc2Cl)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1
STK555775
Synonyms: N-(3-chlorophenyl)-2-{[4-(4-chlorophenyl)-5-oxo-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide
Smiles: Clc1ccc(cc1)n1c2nnc(n2c2c(c1=O)c1CCCCc1s2)SCC(=O)Nc1cccc(c1)Cl
STK555776
Synonyms: 12-(4-methylbenzyl)-9-[(4-methylbenzyl)sulfanyl]-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-7(12H)-one
Smiles: Cc1ccc(cc1)CSc1nnc2n1c(=O)c1c(n2Cc2ccc(cc2)C)c2ccccc2CC21CCCC2
STK555778
Synonyms: 2-{[2-(methylsulfanyl)-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
Smiles: CSc1nc(SCC(=O)Nc2nccs2)c2c(n1)sc1c2CCC1
STK555781
Synonyms: (6Z)-6-{3-chloro-5-methoxy-4-[(2-methylbenzyl)oxy]benzylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1cc(cc(c1OCc1ccccc1C)Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1
STK555782
Synonyms: ethyl4-({[(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1c1ccccc1)CSc1nc(C)cc(n1)C
STK555783
Synonyms: 2-(4-propoxyphenyl)-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclopentane]
Smiles: CCCOc1ccc(cc1)c1nn2c(n1)c1c(nc2)c2ccccc2CC21CCCC2
STK555784
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-N'-[(E)-(2-methoxyphenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: COc1ccccc1/C=N/NC(=O)c1nnn(c1CN(C)C)c1nonc1N
STK555785
Synonyms: (6Z)-5-imino-6-{3-methoxy-4-[(2-methylbenzyl)oxy]benzylidene}-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1cc(ccc1OCc1ccccc1C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1
STK555788
Synonyms: 6-(4-benzylpiperazin-1-yl)-N~2~-(furan-2-ylmethyl)-5-nitropyrimidine-2,4-diamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCN(CC1)Cc1ccccc1)NCc1ccco1
STK555790
Synonyms: methyl5-methyl-3-({[1-(4-methylphenyl)cyclopropyl]carbonyl}amino)-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)C1(CC1)c1ccc(cc1)C)cc(cc2)C
STK555793
Synonyms: 2-[(5-amino-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide
Smiles: O=C(Nc1cccc(c1)C)CSc1nnc2n1c(N)nc1c2c2CCCCc2s1
STK555794
Synonyms: 6-(3-bromophenyl)-3-(3-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: Brc1cccc(c1)C1=Nn2c(SC1)nnc2c1cccc(c1)C
STK555795
Synonyms: 3-(3-chlorophenyl)-1-(4-nitrobenzyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Smiles: Clc1cccc(c1)n1c(=O)n(Cc2ccc(cc2)[N+](=O)[O-])c2c(c1=O)c1CCCCc1s2
STK555796
Synonyms: 2-[(6-bromo-2-methylquinolin-4-yl)sulfanyl]-N'-[(E)-(4-nitrophenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1cc(C)nc2c1cc(Br)cc2)N/N=C/c1ccc(cc1)[N+](=O)[O-]
STK555798
Synonyms: N~4~-(4-ethoxyphenyl)-N~2~-[2-(morpholin-4-yl)ethyl]-5-nitropyrimidine-2,4,6-triamine
Smiles: CCOc1ccc(cc1)Nc1nc(NCCN2CCOCC2)nc(c1[N+](=O)[O-])N
STK555799
Synonyms: 6-(1,3-benzodioxol-5-yl)-3-(4-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: Cc1ccc(cc1)c1nnc2n1N=C(CS2)c1ccc2c(c1)OCO2
STK555800
Synonyms: (4aR,4bS,7aR,8S)-8-[(3,4-dimethoxyphenyl)carbonyl]-6-(3-nitrophenyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: COc1cc(ccc1OC)C(=O)[C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1cccc(c1)[N+](=O)[O-]
STK555801
Synonyms: N-(4-acetylphenyl)-2-{[3-(4-ethoxyphenyl)-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)C(=O)C)nc2c(c1=O)c1CCN(Cc1s2)C
STK555802
Synonyms: N'-[(E)-{4-[(2-chloro-6-fluorobenzyl)oxy]-3-methoxyphenyl}methylidene]-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)CSc2nncn2C)ccc1OCc1c(F)cccc1Cl
STK555803
Synonyms: 3-chloro-N-({4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl}carbamothioyl)-1-benzothiophene-2-carboxamide
Smiles: COc1ncnc(c1)NS(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)c1sc2c(c1Cl)cccc2
STK555804
Synonyms: N-(2-methoxyethyl)-5-(morpholin-4-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-amine
Smiles: COCCNc1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCOCC1
STK555805
Synonyms: N-({2-[(2-chlorophenyl)carbonyl]hydrazinyl}carbonothioyl)pyridine-3-carboxamide
Smiles: S=C(NC(=O)c1cccnc1)NNC(=O)c1ccccc1Cl
STK555806
Synonyms: methyl4-[(Z)-2-cyano-2-{4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}ethenyl]benzoate
Smiles: N#C/C(=C/c1ccc(cc1)C(=O)OC)/c1scc(n1)c1ccc(cc1)CC(C)C
STK555807
Synonyms: 6-(4-ethylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine
Smiles: CCN1CCN(CC1)c1nc(nc(c1[N+](=O)[O-])N)N1CCN(CC1)C
STK555809
Synonyms: 2-[(3-methylphenoxy)methyl]-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclohexane]
Smiles: Cc1cccc(c1)OCc1nc2n(n1)cnc1c2C2(CCCCC2)Cc2c1cccc2
STK555810
Synonyms: (6Z)-5-imino-6-(3-methoxy-4-{2-[2-methoxy-4-(prop-2-en-1-yl)phenoxy]ethoxy}benzylidene)-2-(thiophen-2-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: C=CCc1ccc(c(c1)OC)OCCOc1ccc(cc1OC)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccs1
STK555811
Synonyms: 5-(3,4-dichlorophenyl)-2-phenyl-3-(pyridin-3-yl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: O=C1N(c2ccc(c(c2)Cl)Cl)C(=O)C2C1ON(C2c1cccnc1)c1ccccc1
STK555814
Synonyms: 3-(3-ethoxyphenyl)-6-(4-ethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: CCOc1ccc(cc1)C1=Nn2c(SC1)nnc2c1cccc(c1)OCC
STK555815
Synonyms: 6-(2,6-dimethoxyphenyl)-3-(3-ethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: CCOc1cccc(c1)c1nnc2n1nc(s2)c1c(OC)cccc1OC
STK555816
Synonyms: 3-(2-phenylethyl)-11-{[(E)-pyridin-4-ylmethylidene]amino}-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: O=c1n(CCc2ccccc2)cnc2c1c1nc3ccccc3nc1n2/N=C/c1ccncc1
STK555820
Synonyms: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(2,4-dimethylphenyl)-6-iodoquinazolin-4(3H)-one
Smiles: Cc1ccc(c(c1)C)n1c(/C=C/c2ccc3c(c2)OCO3)nc2c(c1=O)cc(cc2)I
STK555821
Synonyms: 2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2-methoxyphenyl)methylidene]acetohydrazide
Smiles: COc1ccccc1/C=N/NC(=O)CSc1nnc(n1C)c1cccc(c1)Cl
STK555822
Synonyms: 2-[(4-chlorophenoxy)methyl]-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclopentane]
Smiles: Clc1ccc(cc1)OCc1nn2c(n1)c1c(nc2)c2ccccc2CC21CCCC2
STK555823
Synonyms: 2-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-3-(4-methylphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Smiles: Cc1ccc(cc1)n1c(SCc2nc3c([nH]2)cccc3)nc2c(c1=O)c1CCCCc1s2
STK555824
Synonyms: 2-chloro-5-nitro-6-(pyrrolidin-1-yl)pyrimidin-4-amine
Smiles: Clc1nc(N2CCCC2)c(c(n1)N)[N+](=O)[O-]
STK555825
Synonyms: 4-{[(4aS,4bR,7aS,8R)-6-(2-methoxyphenyl)-5,7-dioxo-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazin-8-yl]carbonyl}phenylacetate
Smiles: COc1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1N([C@H]2C(=O)c2ccc(cc2)OC(=O)C)N=CC=C1
STK555826
Synonyms: 5-(2,6-dichlorophenyl)-3-(4-ethylphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: CCc1ccc(cc1)C1N(OC2C1C(=O)N(C2=O)c1c(Cl)cccc1Cl)c1ccccc1
STK555827
Synonyms: 5-(2,4-dimethylphenyl)-3-(4-fluorophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Fc1ccc(cc1)C1C2C(ON1c1ccccc1)C(=O)N(C2=O)c1ccc(cc1C)C
STK555828
Synonyms: (6aR,6bS,9aR,10S)-10-(furan-2-ylcarbonyl)-8-(4-nitrophenyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: O=C1N(c2ccc(cc2)[N+](=O)[O-])C(=O)[C@@H]2[C@H]1[C@H]1C=Cc3c(N1[C@@H]2C(=O)c1ccco1)cccc3
STK555829
Synonyms: 3-(2-methylpropyl)-2-phenyl-5-(4-propoxyphenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: CCCOc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)CC(C)C
STK555830
Synonyms: (6Z)-5-imino-6-{3-methoxy-4-[2-(phenylsulfanyl)ethoxy]benzylidene}-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1cc(ccc1OCCSc1ccccc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1
STK555831
Synonyms: (6Z)-5-imino-6-{4-[3-(3-methylphenoxy)propoxy]benzylidene}-2-(thiophen-2-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: Cc1cccc(c1)OCCCOc1ccc(cc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccs1
STK555833
Synonyms: N-(4-chlorophenyl)-3-(2-methoxyphenyl)-3-[4-(propan-2-yloxy)phenyl]propanamide
Smiles: COc1ccccc1C(c1ccc(cc1)OC(C)C)CC(=O)Nc1ccc(cc1)Cl
STK555836
Synonyms: 3-[5-(2-ethylphenoxy)pentyl]-2-(4-methoxyphenyl)quinazolin-4(3H)-one
Smiles: CCc1ccccc1OCCCCCn1c(nc2c(c1=O)cccc2)c1ccc(cc1)OC
STK555837
Synonyms: 9-bromo-5-(3-bromophenyl)-2-(4-chlorophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Smiles: Brc1ccc2c(c1)C1CC(=NN1C(O2)c1cccc(c1)Br)c1ccc(cc1)Cl
STK555839
Synonyms: 5-amino-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine-3-thiol
Smiles: Nc1nc2sc3c(c2c2n1c(S)nn2)CCCC3
STK555840
Synonyms: [4-(4-amino-2-chlorophenyl)piperazin-1-yl](4-chlorophenyl)methanone
Smiles: Clc1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(cc1Cl)N
STK555842
Synonyms: N-benzyl-2-ethyl-2-methyl-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-amine
Smiles: CCC1(C)OCc2c(C1)c1c(nc2N2CCOCC2)sc2c1ncnc2NCc1ccccc1
STK555843
Synonyms: 2-[(E)-2-(4-chlorophenyl)ethenyl]-3-(2,4-dimethylphenyl)quinazolin-4(3H)-one
Smiles: Clc1ccc(cc1)/C=C/c1nc2ccccc2c(=O)n1c1ccc(cc1C)C
STK555845
Synonyms: 2-[3-(4-chlorophenyl)-2,4-dioxo-3,4,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]-N-(2-phenylethyl)acetamide
Smiles: Clc1ccc(cc1)n1c(=O)c2c3CCCc3sc2n(c1=O)CC(=O)NCCc1ccccc1
STK555846
Synonyms: (6Z)-6-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-5-imino-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C(N1CCCC1)Cc1nn2c(=NC(=O)/C(=C\c3cc(n(c3C)c3ccccc3)C)/C2=N)s1
STK832379
Synonyms:
Smiles: Clc1ccc(cc1)c1csc(n1)c1ccccn1CC(=O)c1ccccc1
STL038973
Synonyms: 1-{4,6-bis[(3-methylphenyl)amino]-1,3,5-triazin-2-yl}-1H-1,2,4-triazole-5-thiol
Smiles: Cc1cccc(c1)Nc1nc(Nc2cccc(c2)C)nc(n1)n1ncnc1S
STK555847
Synonyms: 3-[(4-fluorobenzyl)sulfanyl]-10,10-dimethyl-5-(propylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCc1ccc(cc1)F)nn2)CC(OC3)(C)C
STK555850
Synonyms: N-(4-methoxyphenyl)-4-oxo-4-[(2E)-2-(3,4,5-trimethoxybenzylidene)hydrazinyl]butanamide
Smiles: COc1ccc(cc1)NC(=O)CCC(=O)N/N=C/c1cc(OC)c(c(c1)OC)OC
STK555851
Synonyms: 2-imino-N-(2-methoxyethyl)-10-methyl-5-oxo-1-(pyridin-4-ylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
Smiles: COCCNC(=O)c1cc2c(n(c1=N)Cc1ccncc1)nc1n(c2=O)cccc1C
STK555853
Synonyms: 4-hydrazinyl-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-amine
Smiles: NNc1nc(N)nc2c1c1CC(C)(C)OCc1s2
STK555854
Synonyms: N-(4-methoxyphenyl)-2-{[5-(methylsulfanyl)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamide
Smiles: CSc1nc2sc3c(c2c2n1c(SCC(=O)Nc1ccc(cc1)OC)nn2)CCC3
STK555855
Synonyms: 3-(2-chlorophenyl)-6-(4-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: Clc1ccc(cc1)c1nn2c(s1)nnc2c1ccccc1Cl
STK555857
Synonyms: 2-{[2-(benzylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
Smiles: O=C(Nc1nccs1)CSc1nc(SCc2ccccc2)nc2c1c1CC(C)(C)OCc1s2
STK555860
Synonyms: 3-(2,4-dimethoxyphenyl)-5-(3-methylphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: COc1cc(OC)ccc1C1N(OC2C1C(=O)N(C2=O)c1cccc(c1)C)c1ccccc1
STK555861
Synonyms: 2-[(2-chlorobenzyl)sulfanyl]-3-(3-chlorophenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one
Smiles: Clc1cccc(c1)n1c(SCc2ccccc2Cl)nc2c(c1=O)cc1c(n2)CCCC1
STK555862
Synonyms: (2Z)-2-cyano-N-(3-methylphenyl)-2-{(5E)-3-(4-methylphenyl)-4-oxo-5-[2-(propan-2-yloxy)benzylidene]-1,3-thiazolidin-2-ylidene}ethanamide
Smiles: N#C/C(=c\1/s/c(=C/c2ccccc2OC(C)C)/c(=O)n1c1ccc(cc1)C)/C(=O)Nc1cccc(c1)C
STK555864
Synonyms: 9-bromo-5-(3-chlorophenyl)-2-(thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Smiles: Brc1ccc2c(c1)C1CC(=NN1C(O2)c1cccc(c1)Cl)c1cccs1
STK555865
Synonyms: 2-[(2-chlorobenzyl)sulfanyl]-8,8-dimethyl-3-phenyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
Smiles: Clc1ccccc1CSc1nc2nc3CC(C)(C)OCc3cc2c(=O)n1c1ccccc1
STK555866
Synonyms: N-hexadecyl-4,7,7-trimethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide
Smiles: CCCCCCCCCCCCCCCCNC(=O)C12CCC(C2(C)C)(C(=O)C1=O)C
STK555869
Synonyms: 5-benzyl-2-phenyl-3-(pyridin-3-yl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: O=C1C2ON(C(C2C(=O)N1Cc1ccccc1)c1cccnc1)c1ccccc1
STK555870
Synonyms: N-benzyl-2-{[3-(4-chlorophenyl)-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Smiles: CN1CCc2c(C1)sc1c2c(=O)n(c(n1)SCC(=O)NCc1ccccc1)c1ccc(cc1)Cl
STK555871
Synonyms: N'-[(1E)-1-(2,4-dimethoxyphenyl)ethylidene]-2-{[4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Smiles: COc1ccc(c(c1)OC)/C(=N/NC(=O)CSc1nnc(n1C)c1cccc(c1)[N+](=O)[O-])/C
STK555872
Synonyms: (2Z)-2-cyano-2-[(5E)-5-(2,3-dimethoxybenzylidene)-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)ethanamide
Smiles: COc1cccc(c1OC)/C=c\1/s/c(=C(\C(=O)Nc2ccc(cc2)C)/C#N)/n(c1=O)c1ccccc1C
STK555874
Synonyms: (6aS,6bR,9aS,10R)-8-(4-chlorophenyl)-7,9-dioxo-10-(phenylcarbonyl)-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinolin-1-ylacetate
Smiles: Clc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=Cc2c1c(ccc2)OC(=O)C)C(=O)c1ccccc1
STK555875
Synonyms: 5-(benzylsulfanyl)-3-[(3-methylbutyl)sulfanyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CC(CCSc1nnc2n1c(SCc1ccccc1)nc1c2c2CCCCc2s1)C
STK555876
Synonyms: (6E)-5-imino-2-[2-oxo-2-(piperidin-1-yl)ethyl]-6-{[1-(2-phenoxyethyl)-1H-indol-3-yl]methylidene}-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C(N1CCCCC1)Cc1nn2c(=NC(=O)/C(=C/c3cn(c4c3cccc4)CCOc3ccccc3)/C2=N)s1
STK555877
Synonyms: 6-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: Clc1ccc(cc1)c1nnc2n1N=C(CS2)c1ccc2c(c1)OCO2
STK555879
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-{(E)-[3-(benzyloxy)phenyl]methylidene}-5-(morpholin-4-ylmethyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: O=C(c1nnn(c1CN1CCOCC1)c1nonc1N)N/N=C/c1cccc(c1)OCc1ccccc1
STK555880
Synonyms: 3-(4-tert-butylphenyl)-6-(2-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: Cc1ccccc1c1nn2c(s1)nnc2c1ccc(cc1)C(C)(C)C
STK555881
Synonyms: 6-ethyl-N-(furan-2-ylmethyl)-6-methyl-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
Smiles: CCCSc1nc(NCc2ccco2)c2c(n1)sc1c2CC(OC1)(C)CC
STK555882
Synonyms: 3-(4-chloro-2-oxo-3-phenyl-2,3-dihydro-1,3-thiazol-5-yl)-5-(3-methylphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Cc1cccc(c1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1sc(=O)n(c1Cl)c1ccccc1
STK555884
Synonyms: (2Z)-6-(2-chlorobenzyl)-2-(2-fluorobenzylidene)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Smiles: O=c1nc2s/c(=C\c3ccccc3F)/c(=O)n2nc1Cc1ccccc1Cl
STK555885
Synonyms: N-(4-chlorophenyl)-2-{[3-(3-methylphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)Cl)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)C)CCCCC3
STK555887
Synonyms: 2,2-dimethyl-5-(2-methylpropyl)-8-(pentylsulfanyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: CCCCCSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)CC(C)C
STK555889
Synonyms: 2-{[4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(butan-2-yl)phenyl]acetamide
Smiles: CCC(c1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)Br)c1ccncc1)C
STK555890
Synonyms: N~4~-(4-fluorophenyl)-N~2~-[3-(morpholin-4-yl)propyl]-5-nitropyrimidine-2,4,6-triamine
Smiles: Fc1ccc(cc1)Nc1nc(NCCCN2CCOCC2)nc(c1[N+](=O)[O-])N
STK555891
Synonyms: 2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(E)-phenylmethylidene]acetohydrazide
Smiles: O=C(CSc1nncn1C)N/N=C/c1ccccc1
STK555892
Synonyms: ethylN-({[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)glycinate
Smiles: CCOC(=O)CNC(=O)CSc1nnc(n1c1ccc(cc1)Cl)c1ccc(cc1)OC
STK555893
Synonyms: 6-cyclohexyl-3-(4-ethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: CCOc1ccc(cc1)c1nnc2n1nc(s2)C1CCCCC1
STK555894
Synonyms: 3-(2,4-dimethoxyphenyl)-2,5-diphenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: COc1cc(OC)ccc1C1N(OC2C1C(=O)N(C2=O)c1ccccc1)c1ccccc1
STK555895
Synonyms: 4-(butylsulfanyl)-6,6-dimethyl-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Smiles: CCCCSc1nc(SCCC)nc2c1c1CC(C)(C)OCc1s2
STK555897
Synonyms: N'-[(3Z)-5-bromo-2-oxo-1-{[2-(pyridin-3-yl)piperidin-1-yl]methyl}-1,2-dihydro-3H-indol-3-ylidene]thiophene-2-carbohydrazide
Smiles: Brc1ccc2c(c1)/C(=N/NC(=O)c1cccs1)/C(=O)N2CN1CCCCC1c1cccnc1
STK555898
Synonyms: 2-bromo-N'-[(4E)-6,6-dimethyl-6,7-dihydro-1-benzofuran-4(5H)-ylidene]benzohydrazide
Smiles: O=C(c1ccccc1Br)N/N=C/1\CC(C)(C)Cc2c1cco2
STK555900
Synonyms: N~4~-cyclohexyl-5-nitro-N~2~-phenylpyrimidine-2,4,6-triamine
Smiles: [O-][N+](=O)c1c(NC2CCCCC2)nc(nc1N)Nc1ccccc1
STK555901
Synonyms: methyl{6-chloro-4-methyl-2-oxo-7-[(1-oxo-1-phenylpropan-2-yl)oxy]-2H-chromen-3-yl}acetate
Smiles: COC(=O)Cc1c(=O)oc2c(c1C)cc(c(c2)OC(C(=O)c1ccccc1)C)Cl
STK555902
Synonyms: 3-(4-chlorophenyl)-6-(2,6-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: COc1cccc(c1c1nn2c(s1)nnc2c1ccc(cc1)Cl)OC
STK555903
Synonyms: (6Z)-5-imino-6-{3-methoxy-4-[(3-methylbenzyl)oxy]benzylidene}-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1cc(ccc1OCc1cccc(c1)C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1
STK555904
Synonyms: N-(2-methoxyethyl)-2,2-dimethyl-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-amine
Smiles: COCCNc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1
STK555905
Synonyms: 2-[(2-hydroxy-2-phenylethyl)amino]-3-[(Z)-(3-octyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: CCCCCCCCN1C(=S)S/C(=C\c2c(NCC(c3ccccc3)O)nc3n(c2=O)cccc3)/C1=O
STK555908
Synonyms: 4-(4-bromophenoxy)-2-(pyridin-2-yl)quinazoline
Smiles: Brc1ccc(cc1)Oc1nc(nc2c1cccc2)c1ccccn1
STK555909
Synonyms: 3-(butylsulfanyl)-10-ethyl-10-methyl-5-(propylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CCCCSc1nnc2n1c(SCCC)nc1c2c2CC(C)(CC)OCc2s1
STK555911
Synonyms: 2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-naphthalen-1-ylmethylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Cl)N/N=C/c1cccc2c1cccc2
STK555912
Synonyms: (1'S,2'S,3R,3a'R)-1'-(2,2-dimethylpropanoyl)-7'-methoxy-2'-{[4-(2-methylpropyl)phenyl]carbonyl}-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: COc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)C(C)(C)C)[C@H]([C@@]21C(=O)Nc1c2cccc1)C(=O)c1ccc(cc1)CC(C)C
STK555913
Synonyms: 4-[({[3-(4-chlorophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)amino]benzoicacid
Smiles: O=C(Nc1ccc(cc1)C(=O)O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CCCC3
STK555914
Synonyms: (3aR,6aS)-5-(4-bromophenyl)-3-(3-nitrophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: Brc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)C(=NO2)c1cccc(c1)[N+](=O)[O-]
STK555915
Synonyms: (8S,8aR,11aS,11bS)-10-(2,4-dimethoxyphenyl)-8-(phenylcarbonyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Smiles: COc1ccc(c(c1)OC)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)c2ccccc2)C=Cc2c1cccc2
STK555916
Synonyms: 5-(3,4-dichlorophenyl)-3-(2-methylpropyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: CC(CC1N(OC2C1C(=O)N(C2=O)c1ccc(c(c1)Cl)Cl)c1ccccc1)C
STK555917
Synonyms: 10-ethyl-10-methyl-3,5-bis(propylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CCCSc1nnc2n1c(SCCC)nc1c2c2CC(C)(CC)OCc2s1
STK555920
Synonyms: 2-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]-3-(2,4-dimethylphenyl)quinazolin-4(3H)-one
Smiles: Cc1ccc(c(c1)C)n1c(/C=C/c2cc(Br)ccc2O)nc2c(c1=O)cccc2
STK555921
Synonyms: 4-(2,6-dimethylmorpholin-4-yl)-7-methoxy-5H-pyrimido[5,4-b]indole
Smiles: COc1ccc2c(c1)[nH]c1c2ncnc1N1CC(C)OC(C1)C
STK555925
Synonyms: 2-{[10-ethyl-10-methyl-5-(propylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCC(=O)Nc1nccs1)nn2)CC(OC3)(C)CC
STK555928
Synonyms: N,N-diethyl-4-[3-(3-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline
Smiles: CCN(c1ccc(cc1)c1nn2c(s1)nnc2c1cccc(c1)OC)CC
STK555929
Synonyms: ethyl{[6,6-dimethyl-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetate
Smiles: CCCSc1nc(SCC(=O)OCC)c2c(n1)sc1c2CC(OC1)(C)C
STK555931
Synonyms: 2-[(2-chlorobenzyl)sulfanyl]-3-ethyl-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Smiles: CCn1c(SCc2ccccc2Cl)nc2c(c1=O)c1CCN(Cc1s2)C
STK555932
Synonyms: 2-{[6,6-dimethyl-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Smiles: CCCSc1nc(SCC(=O)Nc2cccc(c2)C)c2c(n1)sc1c2CC(OC1)(C)C
STK555933
Synonyms: (4aS,4bR,7aS,8R)-8-(2,2-dimethylpropanoyl)-6-(2-fluorophenyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1F)[C@H]1N([C@H]2C(=O)C(C)(C)C)N=CC=C1
STK555934
Synonyms: 2-({[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole
Smiles: COc1ccc(cc1)n1c(SCc2nc3c([nH]2)cccc3)nnc1c1ccc(cc1)C(C)(C)C
STK555935
Synonyms: 2-ethyl-8-hydrazinyl-2-methyl-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: CCC1(C)OCc2c(C1)c1c(nc2N2CCOCC2)sc2c1ncnc2NN
STK555937
Synonyms: 2-(3,5-dimethylpiperidin-1-yl)-N-(3-fluorophenyl)-N-methyl-5-nitropyrimidine-4,6-diamine
Smiles: CC1CC(C)CN(C1)c1nc(N(c2cccc(c2)F)C)c(c(n1)N)[N+](=O)[O-]
STK555938
Synonyms: 6-ethyl-6-methyl-2-(propylsulfanyl)-4-(pyrrolidin-1-yl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Smiles: CCCSc1nc2sc3c(c2c(n1)N1CCCC1)CC(OC3)(C)CC
STK555939
Synonyms: N-(3-chloro-4-methoxyphenyl)-2-[(4-oxo-3-propyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]acetamide
Smiles: CCCn1c(SCC(=O)Nc2ccc(c(c2)Cl)OC)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1
STK555940
Synonyms: 2-(4-benzylpiperazin-1-yl)-N-(3,4-dimethylphenyl)-5-nitropyrimidine-4,6-diamine
Smiles: Cc1cc(ccc1C)Nc1nc(nc(c1[N+](=O)[O-])N)N1CCN(CC1)Cc1ccccc1
STK555941
Synonyms: ethyl1-{3-[(3-methyl-8,13-dioxo-13,14-dihydro-8H-naphtho[2,3-a]phenoxazin-7-yl)amino]propyl}piperidine-4-carboxylate
Smiles: CCOC(=O)C1CCN(CC1)CCCNc1cc2oc3cc(C)ccc3[nH]c2c2c1c(=O)c1c(c2=O)cccc1
STK555942
Synonyms: methyl2-[(8R,8aS,11aR)-8-(2,2-dimethylpropanoyl)-9,11-dioxo-8a,9,11a,11b-tetrahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinolin-10(11H)-yl]benzoate
Smiles: COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)C1N([C@H]2C(=O)C(C)(C)C)C=Cc2c1cccc2
STK555943
Synonyms: 6-(1,3-benzodioxol-5-yl)-3-(2-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: Clc1ccccc1c1nnc2n1N=C(CS2)c1ccc2c(c1)OCO2
STK555945
Synonyms: 6-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: COc1ccccc1c1nnc2n1N=C(CS2)c1ccc2c(c1)OCO2
STK555946
Synonyms: ethyl4-{5-[(Z)-{5-imino-7-oxo-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene}methyl]furan-2-yl}benzoate
Smiles: CCOC(=O)c1ccc(cc1)c1ccc(o1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1
STK555947
Synonyms: 3,5-dimethoxy-N-[1-(2-methylpropyl)-1H-pyrazolo[3,4-b]quinolin-3-yl]benzamide
Smiles: COc1cc(OC)cc(c1)C(=O)Nc1nn(c2c1cc1ccccc1n2)CC(C)C
STK555948
Synonyms: 5-(3-hydroxybenzyl)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: Oc1cccc(c1)CC1C(=O)N(C)C(=O)N(C1=O)C
STK555949
Synonyms: (8S,8aR,11aS,11bS)-10-(2,4-dichlorophenyl)-8-(2,2-dimethylpropanoyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione
Smiles: Clc1ccc(c(c1)Cl)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2c2ccccc2C=N1)C(=O)C(C)(C)C
STK555950
Synonyms: 4-{[(4aS,4bR,7aS,8R)-6-(2,4-dichlorophenyl)-5,7-dioxo-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazin-8-yl]carbonyl}phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C(=O)[C@@H]1N2N=CC=C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1Cl)Cl
STK555951
Synonyms: 2-[(E)-{2-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-4-oxo-1,3-thiazol-5(4H)-ylidene}methyl]phenylbenzenesulfonate
Smiles: O=C1N=C(S/C/1=C/c1ccccc1OS(=O)(=O)c1ccccc1)N1CCN(CC1)c1ccc(c(c1)Cl)C
STK555952
Synonyms: (2Z)-N-(2-chlorophenyl)-2-cyano-2-[(5E)-5-(2,5-dimethoxybenzylidene)-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]ethanamide
Smiles: COc1ccc(c(c1)/C=c\1/s/c(=C(\C(=O)Nc2ccccc2Cl)/C#N)/n(c1=O)c1ccccc1C)OC
STK555954
Synonyms: (4aR,4bS,7aR,8S)-6-(4-acetylphenyl)-5,7-dioxo-N-phenyl-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-8-carboxamide
Smiles: O=C([C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1)C(=O)C)Nc1ccccc1
STK555955
Synonyms: N'-[(E)-(5-methylfuran-2-yl)methylidene]-2-{[5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Smiles: O=C(CSc1nnc(n1c1ccccc1)c1cccc(c1)[N+](=O)[O-])N/N=C/c1ccc(o1)C
STK555956
Synonyms: (6Z)-6-[4-(benzyloxy)benzylidene]-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(cc1)OCc1ccccc1)c1cccnc1
STK555957
Synonyms: 6-tert-butyl-3-(2-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: Clc1ccccc1c1nnc2n1N=C(CS2)C(C)(C)C
STK555958
Synonyms: 10-ethyl-3-(hexylsulfanyl)-10-methyl-5-(propylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CCCCCCSc1nnc2n1c(SCCC)nc1c2c2CC(C)(CC)OCc2s1
STK555960
Synonyms: 5-[3-(6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-1,3-dihydro-2-benzofuran-1-yl]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: O=C1N(C)C(=O)C(C(=O)N1C)C1OC(c2c1cccc2)c1c(O)n(C)c(=O)n(c1=O)C
STK555961
Synonyms: 5-(4-nitrophenyl)-2-phenyl-3-(pyridin-3-yl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: O=C1N(c2ccc(cc2)[N+](=O)[O-])C(=O)C2C1ON(C2c1cccnc1)c1ccccc1
STK555965
Synonyms: (6aS,6bR,9aS,10R)-10-[(4-chlorophenyl)carbonyl]-8-(2-phenylethyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: Clc1ccc(cc1)C(=O)[C@H]1[C@H]2C(=O)N(C(=O)[C@H]2[C@H]2N1c1ccccc1C=C2)CCc1ccccc1
STK555966
Synonyms: butyl4-[(6aR,6bS,9aR,10S)-10-(furan-2-ylcarbonyl)-7,9-dioxo-6b,7,9a,10-tetrahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinolin-8(9H)-yl]benzoate
Smiles: CCCCOC(=O)c1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=Cc2c1cccc2)C(=O)c1ccco1
STK555967
Synonyms: 2-{[6-iodo-3-(4-methylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N,N-dipropylacetamide
Smiles: CCCN(C(=O)CSc1nc2ccc(cc2c(=O)n1c1ccc(cc1)C)I)CCC
STK555970
Synonyms: 3-(2,5-dimethoxyphenyl)-5-(4-methylphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: COc1ccc(c(c1)C1C2C(=O)N(C(=O)C2ON1c1ccccc1)c1ccc(cc1)C)OC
STK555971
Synonyms: 7-(4-chlorobenzyl)-8-[(4-fluorobenzyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Fc1ccc(cc1)CSc1nc2c(n1Cc1ccc(cc1)Cl)c(=O)n(c(=O)n2C)C
STK555972
Synonyms: (5E)-5-[(azepan-1-ylamino)methylidene]-1-hexylpyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCCCCCN1C(=O)NC(=O)/C(=C\NN2CCCCCC2)/C1=O
STK555973
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(5-chloro-2-hydroxyphenyl)methylidene]-5-[(4-fluorophenoxy)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: Fc1ccc(cc1)OCc1c(nnn1c1nonc1N)C(=O)N/N=C/c1cc(Cl)ccc1O
STK555974
Synonyms: N-(4-acetylphenyl)-2-[3-(4-chlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]acetamide
Smiles: Clc1ccc(cc1)n1c(=O)n(CC(=O)Nc2ccc(cc2)C(=O)C)c2c(c1=O)c1CCCCc1s2
STK555976
Synonyms: N-(4-chlorophenyl)-2-[(4-oxo-3-propyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]acetamide
Smiles: CCCn1c(SCC(=O)Nc2ccc(cc2)Cl)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1
STK555977
Synonyms: 1,3-dimethyl-8-(morpholin-4-yl)-7-[2-(3-nitrophenyl)-2-oxoethyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: O=C(c1cccc(c1)[N+](=O)[O-])Cn1c(nc2c1c(=O)n(C)c(=O)n2C)N1CCOCC1
STK555978
Synonyms: 6-(3-ethoxyphenyl)-3-(pyridin-4-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: CCOc1cccc(c1)c1nn2c(s1)nnc2c1ccncc1
STK555979
Synonyms: N-[4-(diethylamino)phenyl]-2-{[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide
Smiles: CCN(c1ccc(cc1)NC(=O)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)OC)CC
STK555981
Synonyms: 6,6-diethyl-9-sulfanyl-6,12-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Smiles: CCC1(CC)Cc2ccccc2c2c1c(=O)n1c([nH]2)nnc1S
STK555982
Synonyms: 3-(2-hydroxy-3-methoxyphenyl)-5-(4-methylphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: COc1cccc(c1O)C1C2C(=O)N(C(=O)C2ON1c1ccccc1)c1ccc(cc1)C
STK555983
Synonyms: N-(4-ethoxyphenyl)-2-{[6-ethyl-6-methyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)NC(=O)CSc1nc(SC)nc2c1c1CC(C)(CC)OCc1s2
STK555985
Synonyms: 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-ethyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one
Smiles: CCn1c(SCC(=O)c2ccc(cc2)Cl)nc2c(c1=O)cc1c(n2)CCCC1
STK555987
Synonyms: N-(2-methoxyethyl)-2,2-dimethyl-10-(methylsulfanyl)-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-amine
Smiles: COCCNc1nc(SC)nc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1
STK555988
Synonyms: (6aS,6bR,9aS,10R)-8-(2-chlorophenyl)-N-(2,5-dimethoxyphenyl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-10-carboxamide
Smiles: COc1ccc(c(c1)NC(=O)[C@@H]1N2[C@H]([C@H]3[C@@H]1C(=O)N(C3=O)c1ccccc1Cl)C=Cc1c2cccc1)OC
STK555989
Synonyms: 2-(2-propoxyphenyl)-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclopentane]
Smiles: CCCOc1ccccc1c1nn2c(n1)c1c(nc2)c2ccccc2CC21CCCC2
STK555990
Synonyms: (6E)-6-{[1-(3-chloro-4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1ccc(cc1Cl)n1c(C)cc(c1C)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1
STK555991
Synonyms: 3-(3-methoxyphenyl)-6-(naphthalen-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: COc1cccc(c1)c1nnc2n1N=C(CS2)c1ccc2c(c1)cccc2
STK555992
Synonyms: 4-[3-(3-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]benzene-1,2-diol
Smiles: Cc1cccc(c1)c1nnc2n1N=C(CS2)c1ccc(c(c1)O)O
STK555993
Synonyms: ethyl2-({[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=S)NC(=O)/C=C/c2ccc(c(c2)OC)OC)sc2c1CCC(C2)C
STK555994
Synonyms: N'-[(E)-1,3-benzodioxol-5-ylmethylidene]-2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Cl)N/N=C/c1ccc2c(c1)OCO2
STK555995
Synonyms: (6Z)-2-(benzylsulfanyl)-6-{[1-(4-chlorobenzyl)-1H-indol-3-yl]methylidene}-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: Clc1ccc(cc1)Cn1cc(c2c1cccc2)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)SCc1ccccc1
STK555996
Synonyms: (6Z)-5-imino-6-{4-[2-(4-methoxyphenoxy)ethoxy]benzylidene}-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1ccc(cc1)OCCOc1ccc(cc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1
STK555997
Synonyms: methyl2-[(8S,8aR,11aS,11bS)-8-(2,2-dimethylpropanoyl)-9,11-dioxo-8a,9,11a,11b-tetrahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazin-10(11H)-yl]benzoate
Smiles: COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)C(C)(C)C)N=Cc2c1cccc2
STK555998
Synonyms: 8-{(2E)-2-[4-(benzyloxy)benzylidene]hydrazinyl}-1,3-dimethyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cc1ccc(cc1)Cn1c(N/N=C/c2ccc(cc2)OCc2ccccc2)nc2c1c(=O)n(c(=O)n2C)C
STK556000
Synonyms: 3-[6-(2,5-dimethylphenoxy)hexyl]-2-(4-methoxyphenyl)quinazolin-4(3H)-one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCCCOc1cc(C)ccc1C
STK556004
Synonyms: 2-{[3-(2-methylprop-2-en-1-yl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Smiles: O=C(Nc1cccc(c1)C(F)(F)F)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC(=C)C)CCCCC3
STK556006
Synonyms: (6Z)-6-{4-[2-(2,6-dimethylphenoxy)ethoxy]benzylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(cc1)OCCOc1c(C)cccc1C)c1cccnc1
STK556008
Synonyms: ethylN-({[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)glycinate
Smiles: CCOC(=O)CNC(=O)CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)Cl
STK556010
Synonyms: 2-{[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[3-methoxy-4-(propan-2-yloxy)phenyl]methylidene}acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)CSc2nnc(n2C)c2ccc(cc2)Br)ccc1OC(C)C
STK556011
Synonyms: 2-{[2,2-dimethyl-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
Smiles: O=C(Nc1nccs1)CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1
STK556012
Synonyms: (6E)-6-{[1-(3,4-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C(N1CCCC1)Cc1nn2c(=NC(=O)/C(=C/c3cc(n(c3C)c3ccc(c(c3)Cl)Cl)C)/C2=N)s1
STK556013
Synonyms: ethyl2-[(ethylcarbamothioyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxylate
Smiles: CCNC(=S)Nc1nc2CCCCc2cc1C(=O)OCC
STK556014
Synonyms: N'-[(E)-(5-bromo-2-methoxyphenyl)methylidene]-2-{[4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Smiles: COc1ccc(cc1/C=N/NC(=O)CSc1nnc(n1C)c1cccc(c1)[N+](=O)[O-])Br
STK556015
Synonyms: 4-[(2'R,3'R)-3'-(2,2-dimethylpropanoyl)-2,2-dimethyl-4,6-dioxo-2',3'-dihydro-10b'H-spiro[1,3-dioxane-5,1'-pyrrolo[2,1-a]phthalazin]-2'-yl]-2-methoxyphenylacetate
Smiles: COc1cc(ccc1OC(=O)C)[C@H]1[C@@H](N2C(C31C(=O)OC(OC3=O)(C)C)c1ccccc1C=N2)C(=O)C(C)(C)C
STK556016
Synonyms: 4-[(4-chlorobenzyl)sulfanyl]-6-ethyl-6-methyl-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Smiles: CCCSc1nc(SCc2ccc(cc2)Cl)c2c(n1)sc1c2CC(OC1)(C)CC
STK556017
Synonyms: 2-(8,8-dimethyl-4-oxo-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl)-N-phenylacetamide
Smiles: O=C(Cn1cnc2c(c1=O)sc1c2cc2c(n1)CC(OC2)(C)C)Nc1ccccc1
STK556018
Synonyms: (6Z)-5-imino-6-[(5-phenylfuran-2-yl)methylidene]-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(o1)c1ccccc1)c1cccnc1
STK556019
Synonyms: 5-(3,4-dichlorophenyl)-3-(4-ethylphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: CCc1ccc(cc1)C1N(OC2C1C(=O)N(C2=O)c1ccc(c(c1)Cl)Cl)c1ccccc1
STK556021
Synonyms: 2-[3-(3-chlorophenyl)-2,4-dioxo-3,4,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]-N-(2,4-dimethoxyphenyl)acetamide
Smiles: COc1ccc(c(c1)OC)NC(=O)Cn1c2sc3c(c2c(=O)n(c1=O)c1cccc(c1)Cl)CCC3
STK556022
Synonyms: 4-[4-(butan-2-yl)phenoxy]-2-(pyridin-2-yl)quinazoline
Smiles: CCC(c1ccc(cc1)Oc1nc(nc2c1cccc2)c1ccccn1)C
STK556023
Synonyms: 2-chloro-N-[1-(furan-2-ylmethyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]benzamide
Smiles: O=C1CC(C)(C)CC2=C1C(NC(=O)c1ccccc1Cl)(C(=O)N2Cc1ccco1)C(F)(F)F
STK556026
Synonyms: 3-methyl-5-[(4-methylphenyl)sulfonyl]-5,10-dihydroindolo[3,2-b]indole
Smiles: Cc1ccc(cc1)S(=O)(=O)n1c2ccccc2c2c1c1cc(C)ccc1[nH]2
STK556027
Synonyms: 2-{[10-ethyl-10-methyl-5-(propylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-1-phenylethanone
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCC(=O)c1ccccc1)nn2)CC(OC3)(C)CC
STK556028
Synonyms: (8S,8aR,11aS,11bS)-10-(3-chlorophenyl)-8-(phenylcarbonyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Smiles: Clc1cccc(c1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)c2ccccc2)C=Cc2c1cccc2
STK556029
Synonyms: 2-fluoro-N-(6-methyl-1-propyl-1H-pyrazolo[3,4-b]quinolin-3-yl)benzamide
Smiles: CCCn1nc(c2c1nc1ccc(cc1c2)C)NC(=O)c1ccccc1F
STK556033
Synonyms: 2-butyl-3-(2-chloro-4-nitrophenyl)quinazolin-4(3H)-one
Smiles: CCCCc1nc2ccccc2c(=O)n1c1ccc(cc1Cl)[N+](=O)[O-]
STK556034
Synonyms: 2-{[3-(3-chlorophenyl)-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1nc2nc3CCCCc3cc2c(=O)n1c1cccc(c1)Cl
STK556035
Synonyms: 2-(4-methoxyphenyl)-3-[5-(2-methylphenoxy)pentyl]quinazolin-4(3H)-one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCCOc1ccccc1C
STK556036
Synonyms: 2-[(2-chlorobenzyl)sulfanyl]-3-(4-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: COc1ccc(cc1)n1c(SCc2ccccc2Cl)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1
STK556038
Synonyms: (4aR,4bS,7aR,8S)-8-[(4-fluorophenyl)carbonyl]-6-(naphthalen-2-yl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: Fc1ccc(cc1)C(=O)[C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc2c(c1)cccc2
STK556039
Synonyms: (6Z)-6-{4-[3-(4-chloro-3-methylphenoxy)propoxy]-3-methoxybenzylidene}-5-imino-2-(thiophen-2-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1cc(ccc1OCCCOc1ccc(c(c1)C)Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccs1
STK556041
Synonyms: (6Z)-5-imino-6-(naphthalen-1-ylmethylidene)-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C(N1CCCC1)Cc1nn2c(=NC(=O)/C(=C\c3cccc4c3cccc4)/C2=N)s1
STK556042
Synonyms: (6aS,6bR,9aS,10R)-N-(2,5-dimethoxyphenyl)-8-(2-fluorophenyl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-10-carboxamide
Smiles: COc1ccc(c(c1)NC(=O)[C@@H]1N2[C@H]([C@H]3[C@@H]1C(=O)N(C3=O)c1ccccc1F)C=Cc1c2cccc1)OC
STK556044
Synonyms: 2-[(E)-2-(4-bromophenyl)ethenyl]-3-(2,4-dimethylphenyl)quinazolin-4(3H)-one
Smiles: Brc1ccc(cc1)/C=C/c1nc2ccccc2c(=O)n1c1ccc(cc1C)C
STK556046
Synonyms: 2-[(3-ethyl-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Smiles: CCn1c(SCC(=O)N)nc2c(c1=O)c1CCN(Cc1s2)C
STK556047
Synonyms: methyl6-methoxy-3-({[4-(pyridin-2-yl)piperazin-1-yl]acetyl}amino)-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CCN(CC1)c1ccccn1)ccc(c2)OC
STK556048
Synonyms: 2-{[5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-pyridin-2-ylmethylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1c1ccccc1)c1cccc(c1)[N+](=O)[O-])N/N=C/c1ccccn1
STK556050
Synonyms: 2-{[6-ethyl-6-methyl-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide
Smiles: CCCSc1nc(SCC(=O)Nc2cccc3c2cccc3)c2c(n1)sc1c2CC(OC1)(C)CC
STK556051
Synonyms: ethyl3-{[(2,6-difluorophenyl)carbonyl]amino}-5-methoxy-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)c1c(F)cccc1F)cc(cc2)OC
STK556052
Synonyms: 3-[6-(2,4-dimethylphenoxy)hexyl]-2-(4-methoxyphenyl)quinazolin-4(3H)-one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCCCOc1ccc(cc1C)C
STK556053
Synonyms: 3-[6-(3,4-dimethylphenoxy)hexyl]-2-(4-methoxyphenyl)quinazolin-4(3H)-one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCCCOc1ccc(c(c1)C)C
STK556056
Synonyms: 4-{[(8R,8aR,11aS,11bS)-10-(4-bromophenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinolin-8-yl]carbonyl}phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C(=O)[C@@H]1N2C=Cc3c([C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1)Br)cccc3
STK556058
Synonyms: 3-(2-methylpropyl)-2-{[2-oxo-2-(thiophen-2-yl)ethyl]sulfanyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: CC(Cn1c(SCC(=O)c2cccs2)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1)C
STK556059
Synonyms: (6E)-6-{[5-(4-bromophenyl)furan-2-yl]methylidene}-5-imino-2-[2-oxo-2-(piperidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: Brc1ccc(cc1)c1ccc(o1)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCCC1
STK556061
Synonyms: (2Z)-3-[(2,5-dimethoxy-4-methylphenyl)amino]-2-[4-(3-oxo-3H-benzo[f]chromen-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1cc(OC)c(cc1OC)C)/c1scc(n1)c1cc2c(oc1=O)ccc1c2cccc1
STK556062
Synonyms: (6E)-6-({2,5-dimethyl-1-[4-(propan-2-yl)phenyl]-1H-pyrrol-3-yl}methylidene)-5-imino-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C(N1CCCC1)Cc1nn2c(=NC(=O)/C(=C/c3cc(n(c3C)c3ccc(cc3)C(C)C)C)/C2=N)s1
STK556063
Synonyms: 2-[3-(3-methylbutoxy)phenyl]-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclopentane]
Smiles: CC(CCOc1cccc(c1)c1nn2c(n1)c1c(nc2)c2ccccc2CC21CCCC2)C
STK556064
Synonyms: 3-[(4-bromophenyl)sulfonyl]-2-imino-1-[2-(4-methoxyphenyl)ethyl]-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
Smiles: COc1ccc(cc1)CCn1c2nc3ccccn3c(=O)c2cc(c1=N)S(=O)(=O)c1ccc(cc1)Br
STK556065
Synonyms: 7-(4-chlorobenzyl)-1,3-dimethyl-8-[(2E)-2-(4-methylbenzylidene)hydrazinyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cc1ccc(cc1)/C=N/Nc1nc2c(n1Cc1ccc(cc1)Cl)c(=O)n(c(=O)n2C)C
STK556066
Synonyms: N-(4-bromophenyl)-2-[(3-ethyl-8,8-dimethyl-4-oxo-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Smiles: CCn1c(SCC(=O)Nc2ccc(cc2)Br)nc2c(c1=O)cc1c(n2)CC(OC1)(C)C
STK556067
Synonyms: (2E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(5-methoxy-2-methyl-4-nitrophenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1cc(OC)c(cc1C)[N+](=O)[O-])/c1scc(n1)c1ccc2c(c1)OCO2
STK556068
Synonyms: (6Z)-5-imino-6-(4-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}benzylidene)-2-(thiophen-2-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: C=CCc1ccccc1OCCOc1ccc(cc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccs1
STK556069
Synonyms: 7-methoxy-3-({(E)-[4-(propan-2-yl)phenyl]methylidene}amino)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: COc1ccc2c(c1)[nH]c1c2ncn(c1=O)/N=C/c1ccc(cc1)C(C)C
STK556072
Synonyms: (8S,8aR,11aS,11bS)-10-benzyl-8-(2,2-dimethylpropanoyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Smiles: O=C1N(Cc2ccccc2)C(=O)[C@H]2[C@@H]1[C@H](N1[C@@H]2c2ccccc2C=C1)C(=O)C(C)(C)C
STK556073
Synonyms: (5Z)-5-[(3-{3-[(4-fluorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-(morpholin-4-yl)-1,3-thiazol-4(5H)-one
Smiles: Fc1ccc(cc1)COc1cccc(c1)c1nn(cc1/C=C/1\SC(=NC1=O)N1CCOCC1)c1ccccc1
STK556074
Synonyms: (2Z)-2-[5-(4-chlorobenzyl)-3-(3-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoethanamide
Smiles: COc1cccc(c1)N1C(=O)C(S/C/1=C(\C(=O)N)/C#N)Cc1ccc(cc1)Cl
STK556075
Synonyms: 12-(2-phenylethyl)-9-[(2-phenylethyl)sulfanyl]-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-7(12H)-one
Smiles: O=c1n2c(SCCc3ccccc3)nnc2n(c2c1C1(CCCC1)Cc1c2cccc1)CCc1ccccc1
STK556077
Synonyms: (6Z)-5-imino-6-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-2-[2-oxo-2-(piperidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C(N1CCCCC1)Cc1nn2c(=NC(=O)/C(=C\c3ccc(o3)c3ccc(cc3)[N+](=O)[O-])/C2=N)s1
STK556079
Synonyms: 2-[3-(propan-2-yloxy)phenyl]-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclopentane]
Smiles: CC(Oc1cccc(c1)c1nn2c(n1)c1c(nc2)c2ccccc2CC21CCCC2)C
STK556080
Synonyms: 6-(4-benzylpiperazin-1-yl)-N~2~-cyclohexyl-5-nitropyrimidine-2,4-diamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCN(CC1)Cc1ccccc1)NC1CCCCC1
STK556081
Synonyms: ethyl3-{[(2,2-diphenylcyclopropyl)carbonyl]amino}-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)C1CC1(c1ccccc1)c1ccccc1)cccc2
STK556082
Synonyms: 2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-1H-indol-3-ylmethylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Cl)N/N=C/c1c[nH]c2c1cccc2
STK556083
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-5-[(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: COc1cc(/C=N/NC(=O)c2nnn(c2CSC2=NCCS2)c2nonc2N)cc(c1O)Br
STK556084
Synonyms: 2-{[4-(3-methoxyphenyl)-5-oxo-5,7-dihydro-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-1-yl]sulfanyl}-N-phenylacetamide
Smiles: COc1cccc(c1)n1c2nnc(n2c2c(c1=O)C1(CCCCC1)Cc1c2cccc1)SCC(=O)Nc1ccccc1
STK556085
Synonyms: 4-[(4-fluorobenzyl)sulfanyl]-6,6-dimethyl-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Smiles: CCCSc1nc(SCc2ccc(cc2)F)c2c(n1)sc1c2CC(OC1)(C)C
STK556086
Synonyms: 2-({6-amino-2-[(furan-2-ylmethyl)amino]-5-nitropyrimidin-4-yl}amino)ethanol
Smiles: OCCNc1nc(NCc2ccco2)nc(c1[N+](=O)[O-])N
STK556087
Synonyms: 6-(4-benzylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
Smiles: CC1CCN(CC1)c1nc(N2CCN(CC2)Cc2ccccc2)c(c(n1)N)[N+](=O)[O-]
STK556088
Synonyms: 4-{[(4aS,4bR,7aS,8R)-6-(4-methylphenyl)-5,7-dioxo-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazin-8-yl]carbonyl}phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C(=O)[C@@H]1N2N=CC=C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1)C
STK556090
Synonyms: 5-(benzylsulfanyl)-3-[(2,2-diethoxyethyl)sulfanyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CCOC(CSc1nnc2n1c(SCc1ccccc1)nc1c2c2CCCCc2s1)OCC
STL263542
Synonyms: N-(4-bromophenyl)-2-{[4-ethyl-5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCn1c(SCC(=O)Nc2ccc(cc2)Br)nnc1c1ccc(cc1)F
STK556092
Synonyms: 4-(4-chlorophenyl)-1-(hexylsulfanyl)-7-methyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: CCCCCCSc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)Cl)CC(CC3)C
STK556093
Synonyms: N-(5-chloro-2-methylphenyl)-2-{[3-(3-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: COc1cccc(c1)n1c(SCC(=O)Nc2cc(Cl)ccc2C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1
STK556094
Synonyms: 3-(2-methoxyphenyl)-2-phenyl-5-(4-propoxyphenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: CCCOc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccccc1OC
STK556096
Synonyms: 12-pentyl-9-(pentylsulfanyl)-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-7(12H)-one
Smiles: CCCCCSc1nnc2n1c(=O)c1c(n2CCCCC)c2ccccc2CC21CCCC2
STK556097
Synonyms: N-(3-chloro-2-methylphenyl)-2-{[3-(3-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: COc1cccc(c1)n1c(SCC(=O)Nc2cccc(c2C)Cl)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1
STK556098
Synonyms: 1-(benzylsulfanyl)-4-(4-chlorophenyl)-7-methyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: CC1CCc2c(C1)c1c(s2)n2c(SCc3ccccc3)nnc2n(c1=O)c1ccc(cc1)Cl
STK556100
Synonyms: 2-{[10-ethyl-10-methyl-5-(propylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-N-phenylacetamide
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCC(=O)Nc1ccccc1)nn2)CC(OC3)(C)CC
STK556101
Synonyms: (4aS,4bR,7aS,8R)-6-(2,4-dichlorophenyl)-8-(2,2-dimethylpropanoyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: Clc1ccc(c(c1)Cl)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=CC=N1)C(=O)C(C)(C)C
STK556102
Synonyms: 2-[(3-benzyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]-N-(3-chloro-4-methoxyphenyl)acetamide
Smiles: COc1ccc(cc1Cl)NC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccccc1)CCCCC3
STK556103
Synonyms: 3-(3-chlorophenyl)-5-(3,4-dichlorophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Clc1cccc(c1)C1N(OC2C1C(=O)N(C2=O)c1ccc(c(c1)Cl)Cl)c1ccccc1
STK556104
Synonyms: 2,3-dimethoxy-6-[5-(3-methylphenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]benzoicacid
Smiles: COc1c(OC)ccc(c1C(=O)O)C1N(OC2C1C(=O)N(C2=O)c1cccc(c1)C)c1ccccc1
STK556106
Synonyms: (6Z)-5-imino-6-[3-methoxy-4-(2-phenoxyethoxy)benzylidene]-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1cc(ccc1OCCOc1ccccc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1
STK556107
Synonyms: 6-iodo-2-[(3-methylbutyl)sulfanyl]-3-(2-methylprop-2-en-1-yl)quinazolin-4(3H)-one
Smiles: CC(=C)Cn1c(SCCC(C)C)nc2c(c1=O)cc(cc2)I
STK556108
Synonyms: (6Z)-3-(benzylsulfanyl)-6-{[1-(2,6-dichlorobenzyl)-1H-indol-3-yl]methylidene}-5-imino-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
Smiles: O=C1N=c2snc(n2C(=N)/C/1=C/c1cn(c2c1cccc2)Cc1c(Cl)cccc1Cl)SCc1ccccc1
STK556109
Synonyms: N-(3-chlorophenyl)-2-(4-methylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine
Smiles: CN1CCN(CC1)c1nc(Nc2cccc(c2)Cl)c(c(n1)N)[N+](=O)[O-]
STK556110
Synonyms: 3-[4-(3,4-dimethylphenoxy)butyl]-2-(4-methoxyphenyl)quinazolin-4(3H)-one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCOc1ccc(c(c1)C)C
STK556111
Synonyms: 2-(4-ethylpiperazin-1-yl)-N-(3-fluorophenyl)-5-nitropyrimidine-4,6-diamine
Smiles: CCN1CCN(CC1)c1nc(Nc2cccc(c2)F)c(c(n1)N)[N+](=O)[O-]
STK556112
Synonyms: 2-[4-(3-ethylphenoxy)quinazolin-2-yl]-6-methoxyphenol
Smiles: CCc1cccc(c1)Oc1nc(nc2c1cccc2)c1cccc(c1O)OC
STK556113
Synonyms: (6Z)-6-{4-[2-(2-chlorophenoxy)ethoxy]benzylidene}-5-imino-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C(N1CCCC1)Cc1nn2c(=NC(=O)/C(=C\c3ccc(cc3)OCCOc3ccccc3Cl)/C2=N)s1
STK556114
Synonyms: 2-{[2-(benzylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]amino}ethanol
Smiles: OCCNc1nc(SCc2ccccc2)nc2c1c1CC(C)(C)OCc1s2
STK556115
Synonyms: (5Z)-5-{[5-(2,4-dichlorophenyl)furan-2-yl]methylidene}-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4(5H)-one
Smiles: CN1CCN(CC1)C1=NC(=O)/C(=C/c2ccc(o2)c2ccc(cc2Cl)Cl)/S1
STK556116
Synonyms: N~2~-(butan-2-yl)-N~4~-(3,4-dimethylphenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: CCC(Nc1nc(Nc2ccc(c(c2)C)C)c(c(n1)N)[N+](=O)[O-])C
STK556119
Synonyms: 2-{[4-(4-chlorophenyl)-7-methyl-5-oxo-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}-N-(2-methylphenyl)acetamide
Smiles: CC1CCc2c(C1)c1c(s2)n2c(SCC(=O)Nc3ccccc3C)nnc2n(c1=O)c1ccc(cc1)Cl
STK556120
Synonyms: 2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2-fluorophenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Cl)N/N=C/c1ccccc1F
STK556122
Synonyms: (5Z)-5-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-2-[4-(2-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4(5H)-one
Smiles: O=C1N=C(S/C/1=C\c1ccc(o1)c1cccc(c1)[N+](=O)[O-])N1CCN(CC1)c1ccccc1[N+](=O)[O-]
STK556124
Synonyms: 2-{[3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2cccc3c2cccc3)nc2c(c1=O)c1CCCCc1s2
STK556125
Synonyms: 3-[2-(dipropan-2-ylamino)ethyl]-7-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: COc1ccc2c(c1)[nH]c1c2ncn(c1=O)CCN(C(C)C)C(C)C
STK556127
Synonyms: 7-(4-chlorobenzyl)-1,3-dimethyl-8-[(2E)-2-(3-nitrobenzylidene)hydrazinyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1ccc(cc1)Cn1c(N/N=C/c2cccc(c2)[N+](=O)[O-])nc2c1c(=O)n(c(=O)n2C)C
STK556128
Synonyms: 3-butyl-11-(3,4-dimethylphenyl)-2-ethyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: CCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2c1ccc(c(c1)C)C
STK556129
Synonyms: (6Z)-6-{3-chloro-5-methoxy-4-[(3-methylbenzyl)oxy]benzylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1cc(cc(c1OCc1cccc(c1)C)Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1
STK556130
Synonyms: (6E)-6-{[2,5-dimethyl-1-(3-methylphenyl)-1H-pyrrol-3-yl]methylidene}-5-imino-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: Cc1cccc(c1)n1c(C)cc(c1C)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1
STK556132
Synonyms: 3-(4-chloro-2-oxo-3-phenyl-2,3-dihydro-1,3-thiazol-5-yl)-5-(3,4-dichlorophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: O=C1N(c2ccc(c(c2)Cl)Cl)C(=O)C2C1C(N(O2)c1ccccc1)c1sc(=O)n(c1Cl)c1ccccc1
STK556133
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-fluorophenoxy)methyl]-N'-[(E)-(2,4,6-trimethylphenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: Cc1cc(C)c(c(c1)C)/C=N/NC(=O)c1nnn(c1COc1ccc(cc1)F)c1nonc1N
STK556135
Synonyms: (5Z)-5-[(3-{3-[(4-fluorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-3-(propan-2-yl)-2-thioxo-1,3-thiazolidin-4-one
Smiles: Fc1ccc(cc1)COc1cccc(c1)c1nn(cc1/C=C/1\SC(=S)N(C1=O)C(C)C)c1ccccc1
STK556136
Synonyms: N-benzyl-2-{[6,6-dimethyl-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
Smiles: CCCSc1nc(SCC(=O)NCc2ccccc2)c2c(n1)sc1c2CC(OC1)(C)C
STK556138
Synonyms: 2-methylpropyl4-({2-methoxy-5-[(E)-(2-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}hydrazinylidene)methyl]benzyl}oxy)benzoate
Smiles: COc1ccc(cc1COc1ccc(cc1)C(=O)OCC(C)C)/C=N/NC(=O)CSc1nncn1C
STK556139
Synonyms: 2-(4-methoxyphenyl)-3-{3-[2-(propan-2-yloxy)phenoxy]propyl}quinazolin-4(3H)-one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCOc1ccccc1OC(C)C
STK556141
Synonyms: 2-[4-(4-chlorophenyl)-2,2-dimethyltetrahydro-2H-pyran-4-yl]-N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]acetamide
Smiles: O=C(CC1(CCOC(C1)(C)C)c1ccc(cc1)Cl)NCCC(c1ccco1)c1ccc(cc1)F
STK556142
Synonyms: (3aR,6aS)-5-(4-acetylphenyl)-3-(3-nitrophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: O=C1N(c2ccc(cc2)C(=O)C)C(=O)[C@@H]2[C@H]1C(=NO2)c1cccc(c1)[N+](=O)[O-]
STK556143
Synonyms: N'-{(E)-[3-methoxy-4-(propan-2-yloxy)phenyl]methylidene}-2-{[4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)CSc2nnc(n2C)c2cccc(c2)[N+](=O)[O-])ccc1OC(C)C
STK556144
Synonyms: (6Z)-6-{3-chloro-4-[(2-methylbenzyl)oxy]benzylidene}-5-imino-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C(N1CCCC1)Cc1nn2c(=NC(=O)/C(=C\c3ccc(c(c3)Cl)OCc3ccccc3C)/C2=N)s1
STK556145
Synonyms: 3-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: COc1ccc(cc1OC)C1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)C)c1ccccc1
STK556146
Synonyms: 1,3-dimethyl-8-[(3-methylphenyl)amino]-7-propyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCn1c(Nc2cccc(c2)C)nc2c1c(=O)n(c(=O)n2C)C
STK556147
Synonyms: N-[1-(4-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
Smiles: Cc1ccc(cc1)N1C(=O)NC(C1=O)(NC(=O)c1ccccc1)C(F)(F)F
STK556148
Synonyms: (6aR,6bS,9aR,10S)-10-(furan-2-ylcarbonyl)-8-(2-methoxy-5-nitrophenyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: COc1ccc(cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=Cc2c1cccc2)C(=O)c1ccco1)[N+](=O)[O-]
STK556149
Synonyms: 6,6-dimethyl-2-[(4-nitrobenzyl)sulfanyl]-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
Smiles: [O-][N+](=O)c1ccc(cc1)CSc1nc(N)c2c(n1)sc1c2CC(OC1)(C)C
STK556151
Synonyms: 3-(2-phenylethyl)-11-{[(E)-thiophen-2-ylmethylidene]amino}-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: O=c1n(CCc2ccccc2)cnc2c1c1nc3ccccc3nc1n2/N=C/c1cccs1
STK556154
Synonyms: 6-ethyl-N-(2-methoxyethyl)-6-methyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
Smiles: COCCNc1nc(SC)nc2c1c1CC(C)(CC)OCc1s2
STK556155
Synonyms: 2-[(4-nitrobenzyl)sulfanyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine
Smiles: [O-][N+](=O)c1ccc(cc1)CSc1nc(N)c2c(n1)nc1c(c2)CCCC1
STK556156
Synonyms: 3,6-bis(4-tert-butylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: CC(c1ccc(cc1)c1nn2c(s1)nnc2c1ccc(cc1)C(C)(C)C)(C)C
STK556158
Synonyms: 2-[(2-hydroxy-2-phenylethyl)amino]-9-methyl-3-[(Z)-(4-oxo-3-propyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: CCCN1C(=S)S/C(=C\c2c(NCC(c3ccccc3)O)nc3n(c2=O)cccc3C)/C1=O
STK556159
Synonyms: N-[(2E)-3-cyano-1-(furan-2-ylmethyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]acetamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)C)Cc1ccco1)nc1n(c2=O)cccc1C
STK556161
Synonyms: 4-{(E)-[2-({1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-1H-1,2,3-triazol-4-yl}carbonyl)hydrazinylidene]methyl}-2-methoxyphenylacetate
Smiles: COc1cc(/C=N/NC(=O)c2nnn(c2CSC2=NCCS2)c2nonc2N)ccc1OC(=O)C
STK556162
Synonyms: 5-(4-butoxyphenyl)-2-phenyl-3-(pyridin-4-yl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: CCCCOc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccncc1
STK556163
Synonyms: 12-(2-methylpropyl)-9-[(2-methylpropyl)sulfanyl]-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclohexan]-7(12H)-one
Smiles: CC(Cn1c2c3ccccc3CC3(c2c(=O)n2c1nnc2SCC(C)C)CCCCC3)C
STK556165
Synonyms: 2-{[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-naphthalen-1-ylmethylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccc(cc1)Br)N/N=C/c1cccc2c1cccc2
STK556166
Synonyms: 6-(4-bromophenyl)-3-(phenoxymethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: Brc1ccc(cc1)c1nn2c(s1)nnc2COc1ccccc1
STK556167
Synonyms: 7-(4-chlorobenzyl)-1,3-dimethyl-8-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1ccc(cc1)Cn1c(N/N=C/c2cccnc2)nc2c1c(=O)n(c(=O)n2C)C
STK556168
Synonyms: 6-bromo-4,5,5-trimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)bicyclo[2.1.1]hexane-1-carboxamide
Smiles: O=C(C12CCC(C1Br)(C2(C)C)C)NC1CC(C)(C)NC(C1)(C)C
STK556169
Synonyms: (4aR,4bS,7aR,8S)-8-[(3,4-dimethoxyphenyl)carbonyl]-6-(naphthalen-2-yl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: COc1ccc(cc1OC)C(=O)[C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc2c(c1)cccc2
STK556171
Synonyms: 3-(4-ethoxyphenyl)-6-(naphthalen-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: CCOc1ccc(cc1)c1nnc2n1N=C(CS2)c1ccc2c(c1)cccc2
STK556172
Synonyms: N-(4-chlorophenyl)-2-{[4-(3-chlorophenyl)-7,7-dimethyl-5-oxo-4,5,6,9-tetrahydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)Cl)CSc1nnc2n1c1sc3c(c1c(=O)n2c1cccc(c1)Cl)CC(OC3)(C)C
STK556173
Synonyms: 6-(4-ethylpiperazin-1-yl)-N~2~-(3-methylbutyl)-5-nitropyrimidine-2,4-diamine
Smiles: CCN1CCN(CC1)c1nc(NCCC(C)C)nc(c1[N+](=O)[O-])N
STK556174
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-methylpiperazin-1-yl)methyl]-N'-[(1E)-2-phenylpropylidene]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CN1CCN(CC1)Cc1c(nnn1c1nonc1N)C(=O)N/N=C/C(c1ccccc1)C
STK556177
Synonyms: N'-[(E)-1,3-benzodioxol-5-ylmethylidene]-2-(5-methyl-1H-pyrazol-1-yl)acetohydrazide
Smiles: O=C(Cn1nccc1C)N/N=C/c1ccc2c(c1)OCO2
STK556179
Synonyms: N'-[(E)-(1-cyclopropyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]pyridine-4-carbohydrazide
Smiles: O=C(c1ccncc1)NN/C=C/1\C(=O)NC(=S)N(C1=O)C1CC1
STK556180
Synonyms: 2-[(3-benzyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]-N-(5-chloro-2-methylphenyl)acetamide
Smiles: O=C(Nc1cc(Cl)ccc1C)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccccc1)CCCCC3
STK556181
Synonyms: N-(2-chlorophenyl)-2-{[3-(4-methylphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccccc1Cl)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccc(cc1)C)CCCCC3
STK556182
Synonyms: N-({2-[(4-methoxyphenyl)acetyl]hydrazinyl}carbonothioyl)pyridine-3-carboxamide
Smiles: COc1ccc(cc1)CC(=O)NNC(=S)NC(=O)c1cccnc1
STK556183
Synonyms: (2E)-N-({2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]hydrazinyl}carbonothioyl)-3-(thiophen-2-yl)prop-2-enamide
Smiles: S=C(NC(=O)/C=C/c1cccs1)NNC(=O)c1c(C)onc1c1ccccc1
STK556185
Synonyms: N'-[(E)-{3-bromo-4-[(2-chlorobenzyl)oxy]-5-methoxyphenyl}methylidene]-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)CSc2nncn2C)cc(c1OCc1ccccc1Cl)Br
STK556186
Synonyms: 6-tert-butyl-3-(4-tert-butylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: CC(c1ccc(cc1)c1nnc2n1N=C(CS2)C(C)(C)C)(C)C
STK556187
Synonyms: ethyl5,6-dimethoxy-3-{[(4-methyl-1,2,5-oxadiazol-3-yl)carbonyl]amino}-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)c1nonc1C)cc(c(c2)OC)OC
STK556189
Synonyms: [6-bromo-4-(dibromomethyl)-5,5-dimethylbicyclo[2.1.1]hex-1-yl][4-(4-methoxyphenyl)piperazin-1-yl]methanone
Smiles: COc1ccc(cc1)N1CCN(CC1)C(=O)C12CCC(C1Br)(C2(C)C)C(Br)Br
STK556190
Synonyms: 3-(3-methoxyphenyl)-5-(naphthalen-2-yl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: COc1cccc(c1)C1C2C(=O)N(C(=O)C2ON1c1ccccc1)c1ccc2c(c1)cccc2
STK556191
Synonyms: 4-{[(4aS,4bR,7aS,8R)-6-(2,4-dimethoxyphenyl)-5,7-dioxo-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazin-8-yl]carbonyl}phenylacetate
Smiles: COc1cc(OC)ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1N([C@H]2C(=O)c2ccc(cc2)OC(=O)C)N=CC=C1
STK556195
Synonyms: 6-(4-methylpiperazin-1-yl)-5-nitro-2-(piperidin-1-yl)pyrimidin-4-amine
Smiles: CN1CCN(CC1)c1nc(nc(c1[N+](=O)[O-])N)N1CCCCC1
STK556196
Synonyms: (5Z)-2-(4-butoxyphenyl)-5-{[5-(3-nitrophenyl)furan-2-yl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Smiles: CCCCOc1ccc(cc1)c1nn2c(n1)s/c(=C\c1ccc(o1)c1cccc(c1)[N+](=O)[O-])/c2=O
STK556198
Synonyms: 3-(3-chlorophenyl)-6-(4-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: Cc1ccc(cc1)c1nn2c(s1)nnc2c1cccc(c1)Cl
STK556200
Synonyms: 2-{[2-(benzylsulfanyl)-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl]amino}propan-1-ol
Smiles: OCC(Nc1nc(SCc2ccccc2)nc2c1c1CCCc1s2)C
STK556201
Synonyms: N-(5-chloro-2-methylphenyl)-2-{[4-oxo-3-(prop-2-en-1-yl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1
STK556202
Synonyms: 11-(ethylsulfanyl)-1-[(2-methylpropyl)sulfanyl]-5H-spiro[benzo[h][1,2,4]triazolo[4,3-c]quinazoline-4,1'-cyclopentane]
Smiles: CCSc1nc2c3ccccc3CC3(c2c2n1c(SCC(C)C)nn2)CCCC3
STK556203
Synonyms: 1-amino-N-(4-ethoxyphenyl)-5-(morpholin-4-yl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
Smiles: CCOc1ccc(cc1)NC(=O)c1sc2c(c1N)c1CCCCc1c(n2)N1CCOCC1
STK556205
Synonyms: 8-[(2E)-2-benzylidenehydrazinyl]-7-(4-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1ccc(cc1)Cn1c(N/N=C/c2ccccc2)nc2c1c(=O)n(c(=O)n2C)C
STK556207
Synonyms: 2,6-bis(4-ethylphenyl)-4,4-dimethyl-3,5-dinitropiperidine
Smiles: CCc1ccc(cc1)C1NC(c2ccc(cc2)CC)C(C(C1[N+](=O)[O-])(C)C)[N+](=O)[O-]
STK556208
Synonyms: ethyl2-{[(3-chlorophenyl)carbamoyl]amino}-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)Nc2cccc(c2)Cl)sc2c1CC(C)(C)OC2
STK556209
Synonyms: (8S,8aR,11aS,11bS)-10-(4-chlorophenyl)-8-(phenylcarbonyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Smiles: Clc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)c2ccccc2)C=Cc2c1cccc2
STK556211
Synonyms: 4-{[(4aS,4bR,7aS,8R)-6-(4-chlorophenyl)-5,7-dioxo-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazin-8-yl]carbonyl}phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C(=O)[C@@H]1N2N=CC=C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1)Cl
STK556212
Synonyms: 6-[5-(4-fluorophenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]-2,3-dimethoxybenzoicacid
Smiles: COc1ccc(c(c1OC)C(=O)O)C1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)F)c1ccccc1
STK556213
Synonyms: 2-methyl-N-(7-methyl-1-propyl-1H-pyrazolo[3,4-b]quinolin-3-yl)propanamide
Smiles: CCCn1nc(c2c1nc1cc(C)ccc1c2)NC(=O)C(C)C
STK556214
Synonyms: N-(9-ethyl-9H-carbazol-3-yl)-2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCn1c2ccc(cc2c2c1cccc2)NC(=O)CSc1nnc(n1c1ccc(cc1)C)c1ccncc1
STK556215
Synonyms: 2-{[6-ethyl-6-methyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(1-phenylpropan-2-yl)acetamide
Smiles: CCC1(C)OCc2c(C1)c1c(SCC(=O)NC(Cc3ccccc3)C)nc(nc1s2)SC
STK556216
Synonyms: 5,5'-[(2,4-dichlorophenyl)methanediyl]bis(6-hydroxy-1,3-dimethyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one)
Smiles: Clc1ccc(c(c1)Cl)C(c1c(O)n(C)c(=S)n(c1=O)C)c1c(O)n(C)c(=S)n(c1=O)C
STK556217
Synonyms: N-(5-chloro-2-methylphenyl)-2-[(3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]acetamide
Smiles: CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1
STK556218
Synonyms: N-(4-chlorophenyl)-2-{[3-(3-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: COc1cccc(c1)n1c(SCC(=O)Nc2ccc(cc2)Cl)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1
STK556219
Synonyms: (2Z)-2-cyano-2-[3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-phenylethanamide
Smiles: N#C/C(=C\1/SCC(=O)N1c1ccccc1C)/C(=O)Nc1ccccc1
STK556220
Synonyms: 2-[(5-{[(4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexylacetamide
Smiles: O=C(NC1CCCCC1)CSc1nnc(n1c1ccccc1)CSc1nc(N)c2c(n1)sc1c2CCC1
STK556221
Synonyms: (4aR,4bS,7aR,8S)-8-[(4-fluorophenyl)carbonyl]-6-(2-methoxyphenyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: COc1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)c2ccc(cc2)F)N=CC=C1
STK556222
Synonyms: N-(2,4-difluorophenyl)-2-{[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Smiles: Cc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2F)F)nc2c(c1=O)c1CCCCc1s2
STK556223
Synonyms: 6-(1,3-benzodioxol-5-yl)-3-cyclohexyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: C1CCC(CC1)c1nnc2n1N=C(CS2)c1ccc2c(c1)OCO2
STK556225
Synonyms: 3-(2,4-dimethoxyphenyl)-5-(4-fluorophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: COc1ccc(c(c1)OC)C1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)F)c1ccccc1
STK556226
Synonyms: 7-methoxy-3-[2-(piperidin-1-yl)ethyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: COc1ccc2c(c1)[nH]c1c2ncn(c1=O)CCN1CCCCC1
STK556228
Synonyms: 2-{4-[(furan-2-ylmethyl)amino]quinazolin-2-yl}phenol
Smiles: Oc1ccccc1c1nc(NCc2ccco2)c2c(n1)cccc2
STK556231
Synonyms: (4aS,4bR,7aS,8R)-6-(4-bromophenyl)-8-(2,2-dimethylpropanoyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: Brc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=CC=N1)C(=O)C(C)(C)C
STK556232
Synonyms: (6E)-5-imino-6-{[1-(3-methylbenzyl)-1H-indol-3-yl]methylidene}-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: Cc1cccc(c1)Cn1cc(c2c1cccc2)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1
STK556234
Synonyms: 3-(2-methylpropoxy)-2-(methylsulfanyl)quinazolin-4(3H)-one
Smiles: CSc1nc2ccccc2c(=O)n1OCC(C)C
STK556235
Synonyms: N-(2,4-dimethoxyphenyl)-2-{[6-ethyl-6-methyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
Smiles: CCC1(C)OCc2c(C1)c1c(SCC(=O)Nc3ccc(cc3OC)OC)nc(nc1s2)SC
STK556236
Synonyms: (4aR,4bS,7aR,8S)-8-[(4-fluorophenyl)carbonyl]-6-(4-methylphenyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: Cc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=CC=N1)C(=O)c1ccc(cc1)F
STK556237
Synonyms: 2-[(3-benzyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]-N-(3-chlorophenyl)acetamide
Smiles: O=C(Nc1cccc(c1)Cl)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccccc1)CCCCC3
STK556238
Synonyms: (4aR,4bS,7aR,8S)-8-[(4-fluorophenyl)carbonyl]-6-phenyl-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: Fc1ccc(cc1)C(=O)[C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccccc1
STK556239
Synonyms: 2-[(2,4-dichlorobenzyl)sulfanyl]-3-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Smiles: CCn1c(SCc2ccc(cc2Cl)Cl)nc2c(c1=O)c1CCCCc1s2
STK556240
Synonyms: 3-(heptan-3-yl)-2-phenyl-5-(4-propoxyphenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: CCCCC(C1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)OCCC)c1ccccc1)CC
STK556241
Synonyms: 2-{[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(4H-1,2,4-triazol-4-yl)acetamide
Smiles: O=C(Nn1cnnc1)CSc1nnc(o1)c1ccccc1Cl
STK556242
Synonyms: 2-[(E)-2-(3-bromophenyl)ethenyl]-3-(2,4-dimethylphenyl)-6-iodoquinazolin-4(3H)-one
Smiles: Cc1ccc(c(c1)C)n1c(/C=C/c2cccc(c2)Br)nc2c(c1=O)cc(cc2)I
STK556243
Synonyms: 5,7-dibromoquinolin-8-yl4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxylate
Smiles: O=C(C12CCC(C2(C)C)(C(=O)C1)C)Oc1c(Br)cc(c2c1nccc2)Br
STK556244
Synonyms: N-[4-(diethylamino)phenyl]-2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)N(CC)CC)nnc1c1cccnc1
STK556246
Synonyms: 11-{[(E)-(3-methoxyphenyl)methylidene]amino}-3-(2-phenylethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: COc1cccc(c1)/C=N/n1c2nc3ccccc3nc2c2c1ncn(c2=O)CCc1ccccc1
STK556247
Synonyms: N'-[(E)-(4-chlorophenyl)methylidene]-2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Cl)N/N=C/c1ccc(cc1)Cl
STK556249
Synonyms: 7-(4-chlorobenzyl)-1,3-dimethyl-8-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1ccc(cc1)Cn1c(N/N=C/c2ccncc2)nc2c1c(=O)n(c(=O)n2C)C
STK556250
Synonyms: 4-[3-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]benzene-1,2-diol
Smiles: Clc1ccc(cc1)c1nnc2n1N=C(CS2)c1ccc(c(c1)O)O
STK556251
Synonyms: 7-(4-chlorobenzyl)-8-[(2E)-2-(4-chlorobenzylidene)hydrazinyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1ccc(cc1)/C=N/Nc1nc2c(n1Cc1ccc(cc1)Cl)c(=O)n(c(=O)n2C)C
STK556252
Synonyms: (6aS,6bR,9aS,10R)-N-(2,5-dimethoxyphenyl)-8-(4-methylphenyl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-10-carboxamide
Smiles: COc1ccc(c(c1)NC(=O)[C@@H]1N2[C@H]([C@H]3[C@@H]1C(=O)N(C3=O)c1ccc(cc1)C)C=Cc1c2cccc1)OC
STK556253
Synonyms: N-(3-chloro-4-methoxyphenyl)-2-{[3-(2-methylpropyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1Cl)NC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC(C)C)CCCCC3
STK556254
Synonyms: 3-(3-chlorophenyl)-6-(4-ethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: CCOc1ccc(cc1)C1=Nn2c(SC1)nnc2c1cccc(c1)Cl
STK556256
Synonyms: 2-{[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccc(cc1)Br)N/N=C/c1cn[nH]c1c1ccccc1
STK556258
Synonyms: 1-(dimethylamino)propan-2-yl(2E)-3-(1,3-benzodioxol-5-yl)-2-[(phenylcarbonyl)amino]prop-2-enoate
Smiles: CN(CC(OC(=O)/C(=C\c1ccc2c(c1)OCO2)/NC(=O)c1ccccc1)C)C
STK556259
Synonyms: (5Z)-5-{[5-(3,4-dichlorophenyl)furan-2-yl]methylidene}-2-[4-(2-methylphenyl)piperazin-1-yl]-1,3-thiazol-4(5H)-one
Smiles: O=C1N=C(S/C/1=C\c1ccc(o1)c1ccc(c(c1)Cl)Cl)N1CCN(CC1)c1ccccc1C
STK556260
Synonyms: 6-(biphenyl-4-yl)-3-(2,4-dichlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: Clc1ccc(c(c1)Cl)c1nnc2n1N=C(CS2)c1ccc(cc1)c1ccccc1
STK556262
Synonyms: 1-[(4-phenoxybenzyl)oxy]-3-phenylquinoxalin-2(1H)-one4-oxide
Smiles: O=c1n(OCc2ccc(cc2)Oc2ccccc2)c2ccccc2[n+](c1c1ccccc1)[O-]
STK556263
Synonyms: 6-(4-chlorophenyl)-3-(4-ethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: CCOc1ccc(cc1)c1nnc2n1N=C(CS2)c1ccc(cc1)Cl
STK556265
Synonyms: (3aR,6aS)-3-(3-nitrophenyl)-5-(4-nitrophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: O=C1[C@H]2ON=C([C@H]2C(=O)N1c1ccc(cc1)[N+](=O)[O-])c1cccc(c1)[N+](=O)[O-]
STK556267
Synonyms: 2-[3-(4-chlorophenyl)-6,6-dimethyl-2,4-dioxo-3,4,5,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1(6H)-yl]-N-(1-phenylpropan-2-yl)acetamide
Smiles: CC(Cc1ccccc1)NC(=O)Cn1c2sc3c(c2c(=O)n(c1=O)c1ccc(cc1)Cl)CC(OC3)(C)C
STK556268
Synonyms: (8S,8aR,11aS,11bS)-10-benzyl-8-(phenylcarbonyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Smiles: O=C([C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1C=Cc1c2cccc1)Cc1ccccc1)c1ccccc1
STK556269
Synonyms: (6Z)-5-imino-6-{4-[(2-methylbenzyl)oxy]benzylidene}-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C(N1CCCC1)Cc1nn2c(=NC(=O)/C(=C\c3ccc(cc3)OCc3ccccc3C)/C2=N)s1
STK556270
Synonyms: 2-(2-bromophenyl)-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclopentane]
Smiles: Brc1ccccc1c1nn2c(n1)c1c(nc2)c2ccccc2CC21CCCC2
STK556271
Synonyms: 7-(4-chlorobenzyl)-1,3-dimethyl-8-[(1-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1ccc(cc1)Cn1c(SC(c2ccccc2)C)nc2c1c(=O)n(c(=O)n2C)C
STK556273
Synonyms: (6Z)-6-[3-chloro-4-(2-phenoxyethoxy)benzylidene]-5-imino-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C(N1CCCC1)Cc1nn2c(=NC(=O)/C(=C\c3ccc(c(c3)Cl)OCCOc3ccccc3)/C2=N)s1
STK556275
Synonyms: (6Z)-3-(benzylsulfanyl)-6-({1-[2-(2-chlorophenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)-5-imino-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
Smiles: Clc1ccccc1OCCn1cccc1/C=C/1\C(=O)N=c2n(C1=N)c(SCc1ccccc1)ns2
STK556276
Synonyms: (2E)-3-(3,4-dimethoxyphenyl)-N-[(9,10-dioxo-9,10-dihydroanthracen-2-yl)carbamothioyl]prop-2-enamide
Smiles: COc1cc(/C=C/C(=O)NC(=S)Nc2ccc3c(c2)C(=O)c2c(C3=O)cccc2)ccc1OC
STK556277
Synonyms: N-[1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]cyclohexanecarboxamide
Smiles: O=C(C1CCCCC1)NC1(C(=O)N(C2=C1C(=O)CC(C2)(C)C)Cc1ccccc1)C(F)(F)F
STK556278
Synonyms: 3-butyl-2-phenyl-5-(4-propoxyphenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: CCCCC1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)OCCC)c1ccccc1
STK556280
Synonyms: methyl3-{[(1-phenylcyclopentyl)carbonyl]amino}-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)C1(CCCC1)c1ccccc1)cccc2
STK556281
Synonyms: 2-{[10,10-dimethyl-5-(propylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-N-(4-phenylbutan-2-yl)acetamide
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCC(=O)NC(CCc1ccccc1)C)nn2)CC(OC3)(C)C
STK556282
Synonyms: 7-(4-methylpiperazin-1-yl)-4-(morpholin-4-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: CN1CCN(CC1)c1ncnc2c1sc1c2c2CCCc2c(n1)N1CCOCC1
STK556284
Synonyms: (6Z)-6-{4-[(2,4-dichlorobenzyl)oxy]-3-methoxybenzylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1cc(ccc1OCc1ccc(cc1Cl)Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1
STK556286
Synonyms: N-(2-chlorophenyl)-2-[(3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]acetamide
Smiles: CCn1c(SCC(=O)Nc2ccccc2Cl)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1
STK556287
Synonyms: N-{6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]-2,3,4,5,6,7-hexahydro-1H-indol-3-yl}-2-fluorobenzamide
Smiles: O=C1CC(C)(C)CC2=C1C(NC(=O)c1ccccc1F)(C(=O)N2c1cccc(c1)C(F)(F)F)C(F)(F)F
STK556291
Synonyms: methyl(8S,8aR,11aS,11bS)-10-(4-fluorophenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxylate
Smiles: COC(=O)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1C=Cc1c2cccc1)c1ccc(cc1)F
STK556292
Synonyms: 2-{[7,7-dimethyl-2-(4-methylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]sulfanyl}-N-(2-methoxy-5-methylphenyl)acetamide
Smiles: COc1ccc(cc1NC(=O)CSc1nc(nc2c1COC(C2)(C)C)c1ccc(cc1)C)C
STK556293
Synonyms: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-N'-[(E)-(6-methylpyridin-2-yl)methylidene]acetohydrazide
Smiles: Cc1cccc(n1)/C=N/NC(=O)Cn1nc(cc1C)C
STK556295
Synonyms: 2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[4-(propan-2-yl)phenyl]methylidene}acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Cl)N/N=C/c1ccc(cc1)C(C)C
STK556296
Synonyms: N-[4-(benzyloxy)phenyl]-3-(4-methylpiperidin-1-yl)propanamide
Smiles: CC1CCN(CC1)CCC(=O)Nc1ccc(cc1)OCc1ccccc1
STK556298
Synonyms: 3-(2-chlorophenyl)-6-(2,5-dimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: COc1ccc(c(c1)C1=Nn2c(SC1)nnc2c1ccccc1Cl)OC
STK556300
Synonyms: N-(3-chlorophenyl)-2-{[6,6-dimethyl-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
Smiles: CCCSc1nc(SCC(=O)Nc2cccc(c2)Cl)c2c(n1)sc1c2CC(OC1)(C)C
STK556301
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-fluorophenoxy)methyl]-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: Fc1ccc(cc1)OCc1c(nnn1c1nonc1N)C(=O)N/N=C/c1c(O)ccc2c1cccc2
STK556302
Synonyms: 2-{[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2-methoxyphenyl)methylidene]acetohydrazide
Smiles: COc1ccccc1/C=N/NC(=O)CSc1nnc(n1C)c1ccc(cc1)Br
STK556303
Synonyms: 3-(2-chlorophenyl)-6-(naphthalen-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: Clc1ccccc1c1nnc2n1N=C(CS2)c1ccc2c(c1)cccc2
STK556304
Synonyms: 1-(4-butoxy-3-chlorobenzyl)guanidine
Smiles: CCCCOc1ccc(cc1Cl)CNC(=N)N
STK556305
Synonyms: 7-methoxy-3-[2-(piperazin-1-yl)ethyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: COc1ccc2c(c1)[nH]c1c2ncn(c1=O)CCN1CCNCC1
STK556307
Synonyms: 3-[(4-bromobenzyl)sulfanyl]-10,10-dimethyl-5-(propylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCc1ccc(cc1)Br)nn2)CC(OC3)(C)C
STK556308
Synonyms: (2Z)-6-(2-chlorobenzyl)-2-(1-heptyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Smiles: CCCCCCCN1c2ccccc2/C(=c\2/sc3n(c2=O)nc(c(=O)n3)Cc2ccccc2Cl)/C1=O
STK556309
Synonyms: N-cyclohexyl-2-(4-ethylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine
Smiles: CCN1CCN(CC1)c1nc(NC2CCCCC2)c(c(n1)N)[N+](=O)[O-]
STK556310
Synonyms: N-(2,4-difluorophenyl)-2-{[3-(4-ethoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2F)F)nc2c(c1=O)c1CCCCc1s2
STK556311
Synonyms: 2-{(E)-[2-({1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-fluorophenoxy)methyl]-1H-1,2,3-triazol-4-yl}carbonyl)hydrazinylidene]methyl}benzoicacid
Smiles: Fc1ccc(cc1)OCc1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccccc1C(=O)O
STK556312
Synonyms: N-[4-(butan-2-yl)phenyl]-2-{[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Smiles: CCC(c1ccc(cc1)NC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CCCC3)C
STK556314
Synonyms: methyl{[6,6-dimethyl-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetate
Smiles: CCCSc1nc(SCC(=O)OC)c2c(n1)sc1c2CC(OC1)(C)C
STK556315
Synonyms: 3-[5-(4-ethylphenoxy)pentyl]-2-(4-methoxyphenyl)quinazolin-4(3H)-one
Smiles: CCc1ccc(cc1)OCCCCCn1c(nc2c(c1=O)cccc2)c1ccc(cc1)OC
STK556317
Synonyms: 2-[(5Z)-5-(2-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanedioicacid
Smiles: COc1ccccc1/C=C/1\SC(=S)N(C1=O)C(C(=O)O)CC(=O)O
STK556319
Synonyms: (8R,8aS,11aR)-8-(2,2-dimethylpropanoyl)-10-(2-methoxy-5-nitrophenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Smiles: COc1ccc(cc1N1C(=O)[C@H]2[C@@H](C1=O)C1N([C@H]2C(=O)C(C)(C)C)C=Cc2c1cccc2)[N+](=O)[O-]
STK556320
Synonyms: 8-[(2E)-2-(4-bromobenzylidene)hydrazinyl]-7-(4-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1ccc(cc1)Cn1c(N/N=C/c2ccc(cc2)Br)nc2c1c(=O)n(c(=O)n2C)C
STK556321
Synonyms: 2-{[5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(2E)-1-phenylbutan-2-ylidene]acetohydrazide
Smiles: CC/C(=N\NC(=O)CSc1nnc(n1c1ccccc1)c1cccc(c1)[N+](=O)[O-])/Cc1ccccc1
STK556322
Synonyms: 2-amino-1-butyl-N-(2-methylpropyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: CCCCn1c(N)c(c2c1nc1ccccc1n2)C(=O)NCC(C)C
STK556323
Synonyms: methyl(1'R,2'R)-2'-(4-nitrophenyl)-1,3-dioxo-1,1',2',3-tetrahydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1'-carboxylate
Smiles: COC(=O)[C@@H]1N2c3ccccc3C=CC2[C@@]2([C@H]1c1ccc(cc1)[N+](=O)[O-])C(=O)c1c(C2=O)cccc1
STK556324
Synonyms: 3-{[(E)-(4-fluorophenyl)methylidene]amino}-7-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: COc1ccc2c(c1)[nH]c1c2ncn(c1=O)/N=C/c1ccc(cc1)F
STK556325
Synonyms: 2-{4-[4-(butan-2-yl)phenoxy]quinazolin-2-yl}phenol
Smiles: CCC(c1ccc(cc1)Oc1nc(nc2c1cccc2)c1ccccc1O)C
STK556326
Synonyms: 3-[5-(3-nitrophenyl)furan-2-yl]-2,5-diphenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: O=C1N(c2ccccc2)C(=O)C2C1C(c1ccc(o1)c1cccc(c1)[N+](=O)[O-])N(O2)c1ccccc1
STK556327
Synonyms: (2Z)-2-cyano-2-[5-(3-methoxybenzyl)-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)ethanamide
Smiles: COc1cccc(c1)CC1S/C(=C(\C(=O)Nc2ccc(cc2)C)/C#N)/N(C1=O)c1ccccc1C
STK556328
Synonyms: N-[(2E)-3-cyano-10-methyl-5-oxo-1-(propan-2-yl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-4-methoxybenzamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1ccc(cc1)OC)C(C)C)nc1n(c2=O)cccc1C
STK556329
Synonyms: 8,8-dimethyl-3-octyl-2-propyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Smiles: CCCc1nc2c3cc4COC(Cc4nc3sc2c(=O)n1CCCCCCCC)(C)C
STK556330
Synonyms: 4-(benzylsulfanyl)-6,6-dimethyl-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Smiles: CCCSc1nc(SCc2ccccc2)c2c(n1)sc1c2CC(OC1)(C)C
STK556331
Synonyms: (6Z)-6-{4-[(4-chlorobenzyl)oxy]benzylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: Clc1ccc(cc1)COc1ccc(cc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1
STK556332
Synonyms: 3-(2,4-dimethylphenyl)-2-[(E)-2-(2-hydroxyphenyl)ethenyl]quinazolin-4(3H)-one
Smiles: Cc1ccc(c(c1)C)n1c(/C=C/c2ccccc2O)nc2c(c1=O)cccc2
STK556334
Synonyms: 2-{[5-(3-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E)-1-(2,4-dimethoxyphenyl)ethylidene]acetohydrazide
Smiles: COc1cc(OC)ccc1/C(=N/NC(=O)CSc1nnc(n1c1ccccc1)c1cccc(c1)Br)/C
STK556338
Synonyms: 2-[(2-chlorobenzyl)sulfanyl]-3-propyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: CCCn1c(SCc2ccccc2Cl)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1
STK556339
Synonyms: N-(furan-2-ylmethyl)-2,2-dimethyl-10-(methylsulfanyl)-5-(propan-2-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-amine
Smiles: CSc1nc(NCc2ccco2)c2c(n1)c1c(s2)nc(c2c1CC(C)(C)OC2)C(C)C
STK556340
Synonyms: 3-(3-chlorophenyl)-1-[2-(4-chlorophenyl)-2-oxoethyl]-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
Smiles: Clc1ccc(cc1)C(=O)Cn1c2sc3c(c2c(=O)n(c1=O)c1cccc(c1)Cl)CCC3
STK556341
Synonyms: 1-(diphenylmethyl)-3-nitro-5-phenoxy-1H-1,2,4-triazole
Smiles: [O-][N+](=O)c1nc(n(n1)C(c1ccccc1)c1ccccc1)Oc1ccccc1
STK556342
Synonyms: 3-(4-chlorophenyl)-6,6-dimethyl-1-(2-oxo-2-phenylethyl)-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
Smiles: Clc1ccc(cc1)n1c(=O)n(CC(=O)c2ccccc2)c2c(c1=O)c1CC(C)(C)OCc1s2
STK556343
Synonyms: (2Z)-2-{3-chloro-5-methoxy-4-[3-(2-methoxyphenoxy)propoxy]benzylidene}[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Smiles: COc1cc(cc(c1OCCCOc1ccccc1OC)Cl)/C=c/1\sc2n(c1=O)c1c(n2)cccc1
STK556344
Synonyms: 5-(4-bromophenyl)-2-phenyl-3-(pyridin-4-yl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Brc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccncc1
STK556345
Synonyms: N-(5-chloro-2-methylphenyl)-2-{[3-(2-methylprop-2-en-1-yl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: CC(=C)Cn1c(SCC(=O)Nc2cc(Cl)ccc2C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1
STK556346
Synonyms: 2-[(3-bromobenzyl)sulfanyl]-3-(4-methylphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Smiles: Cc1ccc(cc1)n1c(SCc2cccc(c2)Br)nc2c(c1=O)c1CCCCc1s2
STK556347
Synonyms: (6aS,6bR,9aS,10R)-N-(2,5-dimethoxyphenyl)-8-(3-nitrophenyl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-10-carboxamide
Smiles: COc1ccc(c(c1)NC(=O)[C@@H]1N2[C@H]([C@H]3[C@@H]1C(=O)N(C3=O)c1cccc(c1)[N+](=O)[O-])C=Cc1c2cccc1)OC
STK556348
Synonyms: N-(2,4-dimethoxyphenyl)-2-{[10-ethyl-10-methyl-5-(propylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamide
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCC(=O)Nc1ccc(cc1OC)OC)nn2)CC(OC3)(C)CC
STK556349
Synonyms: 3-methoxy-2-[(2-phenylethyl)sulfanyl]quinazolin-4(3H)-one
Smiles: COn1c(SCCc2ccccc2)nc2c(c1=O)cccc2
STK556350
Synonyms: 6,6-dimethyl-4-[(2-methylprop-2-en-1-yl)sulfanyl]-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Smiles: CCCSc1nc(SCC(=C)C)c2c(n1)sc1c2CC(OC1)(C)C
STK556352
Synonyms: 5-(4-fluorophenyl)-3-(4-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Fc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccc(cc1)[N+](=O)[O-]
STK556354
Synonyms: 4-[3-(2,4-dichlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-N,N-diethylaniline
Smiles: CCN(c1ccc(cc1)c1nn2c(s1)nnc2c1ccc(cc1Cl)Cl)CC
STK556355
Synonyms: 2-[(6-{[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy}pyridazin-3-yl)oxy]acetamide
Smiles: CC(Nc1nc(Oc2ccc(nn2)OCC(=O)N)nc(n1)NC(C)C)C
STK556356
Synonyms: 9-chloro-2-(5-methylfuran-2-yl)-5-(pyridin-4-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Smiles: Clc1ccc2c(c1)C1CC(=NN1C(O2)c1ccncc1)c1ccc(o1)C
STK556358
Synonyms: 6-(3,4-dimethoxyphenyl)-3-(3-ethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: CCOc1cccc(c1)c1nnc2n1nc(s2)c1ccc(c(c1)OC)OC
STK556359
Synonyms: 1,3-dimethyl-7-[2-(3-nitrophenyl)-2-oxoethyl]-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: O=C(c1cccc(c1)[N+](=O)[O-])Cn1c(nc2c1c(=O)n(C)c(=O)n2C)N1CCCCC1
STK556361
Synonyms: 7-(2-fluorophenyl)-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
Smiles: COc1cccc(c1)C1=CC(n2c(N1)nnn2)c1ccccc1F
STK556362
Synonyms: 2-{[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E)-1-phenylbutylidene]acetohydrazide
Smiles: CCC/C(=N\NC(=O)CSc1nnc(n1C)c1ccc(cc1)Br)/c1ccccc1
STK556363
Synonyms: 3-(2,5-dimethoxyphenyl)-2,5-diphenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: COc1ccc(c(c1)C1N(OC2C1C(=O)N(C2=O)c1ccccc1)c1ccccc1)OC
STK556364
Synonyms: 4-[(4-bromobenzyl)sulfanyl]-6,6-dimethyl-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Smiles: CCCSc1nc(SCc2ccc(cc2)Br)c2c(n1)sc1c2CC(OC1)(C)C
STK556365
Synonyms: N-(3-chloro-2-methylphenyl)-2-[(3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]acetamide
Smiles: CCn1c(SCC(=O)Nc2cccc(c2C)Cl)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1
STK556366
Synonyms: (6aR,6bS,9aR,10S)-8-[4-chloro-3-(trifluoromethyl)phenyl]-10-[(3-nitrophenyl)carbonyl]-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: O=C([C@H]1N2[C@@H]([C@@H]3[C@H]1C(=O)N(C3=O)c1ccc(c(c1)C(F)(F)F)Cl)C=Cc1c2cccc1)c1cccc(c1)[N+](=O)[O-]
STK556367
Synonyms: 2-({6-amino-2-[(3-methylbutyl)amino]-5-nitropyrimidin-4-yl}amino)ethanol
Smiles: OCCNc1nc(NCCC(C)C)nc(c1[N+](=O)[O-])N
STK556368
Synonyms: 4-[(2E)-2-(2-hydroxy-3-methoxy-5-nitrobenzylidene)hydrazinyl]-N-(4-methoxyphenyl)-4-oxobutanamide
Smiles: COc1ccc(cc1)NC(=O)CCC(=O)N/N=C/c1cc(cc(c1O)OC)[N+](=O)[O-]
STK556369
Synonyms: 3-(2-chloro-4-nitrophenyl)-6-iodo-2-[(E)-2-(3-methylphenyl)ethenyl]quinazolin-4(3H)-one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)/C=C/c1cccc(c1)C)c1ccc(cc1Cl)[N+](=O)[O-]
STK556371
Synonyms: (6E)-6-{[2,5-dimethyl-1-(naphthalen-2-yl)-1H-pyrrol-3-yl]methylidene}-5-imino-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C(N1CCCC1)Cc1nn2c(=NC(=O)/C(=C/c3cc(n(c3C)c3ccc4c(c3)cccc4)C)/C2=N)s1
STK556373
Synonyms: 6-iodo-3-(4-methoxyphenyl)-2-[(3-methylbutyl)sulfanyl]quinazolin-4(3H)-one
Smiles: COc1ccc(cc1)n1c(SCCC(C)C)nc2c(c1=O)cc(cc2)I
STK556374
Synonyms: (2'R,3'R)-3'-acetyl-2'-(4-hydroxy-3-methoxyphenyl)-2,2-dimethyl-2',3'-dihydro-10b'H-spiro[1,3-dioxane-5,1'-pyrrolo[2,1-a]phthalazine]-4,6-dione
Smiles: COc1cc(ccc1O)[C@H]1[C@H](C(=O)C)N2C(C31C(=O)OC(OC3=O)(C)C)c1ccccc1C=N2
STK556375
Synonyms: 3-(4-chlorophenyl)-5-(2,6-dimethylphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Clc1ccc(cc1)C1N(OC2C1C(=O)N(C2=O)c1c(C)cccc1C)c1ccccc1
STK556377
Synonyms: 2-(3,4-dihydroisoquinolin-2(1H)-yl)-9-methyl-3-{(Z)-[4-oxo-3-(propan-2-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: CC(N1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCc3c(C2)cccc3)/C1=O)C
STK556378
Synonyms: 7-(4-fluorobenzyl)-1,3-dimethyl-8-[(2E)-2-(4-methylbenzylidene)hydrazinyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cc1ccc(cc1)/C=N/Nc1nc2c(n1Cc1ccc(cc1)F)c(=O)n(c(=O)n2C)C
STK556379
Synonyms: methyl3-[(1,3-benzodioxol-5-ylcarbonyl)amino]-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)c1ccc3c(c1)OCO3)cccc2
STK556380
Synonyms: (3aR,6aS)-3-(2,4-dichlorophenyl)-5-(2-methyl-4-nitrophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: Clc1ccc(c(c1)Cl)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1C)[N+](=O)[O-]
STK556382
Synonyms: ethyl4-[(5-{[(4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]butanoate
Smiles: CCOC(=O)CCCSc1nnc(n1c1ccccc1)CSc1nc(N)c2c(n1)sc1c2CCC1
STK556383
Synonyms: (6Z)-6-{3-chloro-4-[2-(3-methylphenoxy)ethoxy]benzylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: Cc1cccc(c1)OCCOc1ccc(cc1Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1
STK556384
Synonyms: 2-{[6,6-dimethyl-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}-N,N-diphenylacetamide
Smiles: CCCSc1nc(SCC(=O)N(c2ccccc2)c2ccccc2)c2c(n1)sc1c2CC(OC1)(C)C
STK556385
Synonyms: 6-(3-bromophenyl)-3-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: Brc1cccc(c1)C1=Nn2c(SC1)nnc2c1ccccc1
STK556386
Synonyms: methyl3-{[(4-cyclohexylpiperazin-1-yl)acetyl]amino}-6-methoxy-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CCN(CC1)C1CCCCC1)ccc(c2)OC
STK556387
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-N'-[(E)-(2-ethoxyphenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCOc1ccccc1/C=N/NC(=O)c1nnn(c1CN(C)C)c1nonc1N
STK556388
Synonyms: 3-(4-chlorophenyl)-2-[(2-hydroxyethyl)amino]-6-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Smiles: OCCNc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CC(CC3)C
STK556390
Synonyms: 6-iodo-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-3-(prop-2-en-1-yl)quinazolin-4(3H)-one
Smiles: C=CCn1c(SCC(=O)N2CCCCC2)nc2c(c1=O)cc(cc2)I
STK556391
Synonyms: (5Z)-5-{[5-(3,4-dichlorophenyl)furan-2-yl]methylidene}-2-[4-(2-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4(5H)-one
Smiles: O=C1N=C(S/C/1=C\c1ccc(o1)c1ccc(c(c1)Cl)Cl)N1CCN(CC1)c1ccccc1[N+](=O)[O-]
STK556392
Synonyms: 2-(benzylsulfanyl)-3-methoxyquinazolin-4(3H)-one
Smiles: COn1c(SCc2ccccc2)nc2c(c1=O)cccc2
STK556394
Synonyms: 2-(2-{[4-amino-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-2-yl]amino}ethoxy)ethanol
Smiles: OCCOCCNc1nc(N)c(c(n1)N1CCC(CC1)C)[N+](=O)[O-]
STK556395
Synonyms: 6-methyl-2-{[(E)-(3-phenyl-1H-pyrazol-4-yl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Smiles: N#Cc1c(/N=C/c2c[nH]nc2c2ccccc2)sc2c1CCC(C2)C
STK556396
Synonyms: 6-(4-methylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
Smiles: CC1CCN(CC1)c1nc(N)c(c(n1)N1CCN(CC1)C)[N+](=O)[O-]
STK556397
Synonyms: (6Z)-6-(3-chloro-4-{2-[4-(propan-2-yl)phenoxy]ethoxy}benzylidene)-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CC(c1ccc(cc1)OCCOc1ccc(cc1Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1)C
STK556398
Synonyms: 3-(2-chloro-4-nitrophenyl)-6-iodo-2-[(E)-2-(3-nitrophenyl)ethenyl]quinazolin-4(3H)-one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)/C=C/c1cccc(c1)[N+](=O)[O-])c1ccc(cc1Cl)[N+](=O)[O-]
STK556399
Synonyms: (6aS,6bR,9aS,10R)-10-(phenylcarbonyl)-8-(2-phenylethyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: O=C1N(CCc2ccccc2)C(=O)[C@H]2[C@@H]1[C@@H]1C=Cc3c(N1[C@H]2C(=O)c1ccccc1)cccc3
STK556400
Synonyms: (6Z)-5-imino-6-{4-[(4-methylbenzyl)oxy]benzylidene}-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: Cc1ccc(cc1)COc1ccc(cc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1
STK556401
Synonyms: 2-{[3-(2-methylphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
Smiles: O=C(Nc1nccs1)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1C)CCCCC3
STK556403
Synonyms: (4aS,4bR,7aS,8R)-8-(2,2-dimethylpropanoyl)-6-(2-methoxy-5-nitrophenyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: COc1ccc(cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=CC=N1)C(=O)C(C)(C)C)[N+](=O)[O-]
STK556406
Synonyms: 2-({6-amino-5-nitro-2-[(2-phenylethyl)amino]pyrimidin-4-yl}amino)ethanol
Smiles: OCCNc1nc(NCCc2ccccc2)nc(c1[N+](=O)[O-])N
STK556407
Synonyms: 2-{[5-(4-methoxyphenyl)-8,8-dimethyl-7,10-dihydro-8H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-N-phenylpropanamide
Smiles: COc1ccc(cc1)c1nc2CC(C)(C)OCc2c2n1c(nn2)SC(C(=O)Nc1ccccc1)C
STK556408
Synonyms: N~2~-(3,4-dimethylphenyl)-5-nitro-6-(piperidin-1-yl)pyrimidine-2,4-diamine
Smiles: Cc1cc(ccc1C)Nc1nc(N)c(c(n1)N1CCCCC1)[N+](=O)[O-]
STK556410
Synonyms: N,N-diethyl-4-[3-(pyridin-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline
Smiles: CCN(c1ccc(cc1)c1nn2c(s1)nnc2c1ccccn1)CC
STK556411
Synonyms: (6Z)-6-{4-[2-(4-tert-butylphenoxy)ethoxy]benzylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(cc1)OCCOc1ccc(cc1)C(C)(C)C)c1cccnc1
STK556413
Synonyms: 3-pentyl-11-(4-phenoxyphenyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: CCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2c1ccc(cc1)Oc1ccccc1
STK556415
Synonyms: 6-(1,3-benzodioxol-5-yl)-3-(3-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: Clc1cccc(c1)c1nnc2n1N=C(CS2)c1ccc2c(c1)OCO2
STK556416
Synonyms: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-oxo-2H-pyran-5-carboxamide
Smiles: O=c1ccc(co1)C(=O)NCCC1=CCCCC1
STK556418
Synonyms: 2-[3-(3-chlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]-N-(4-methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)NC(=O)Cn1c2sc3c(c2c(=O)n(c1=O)c1cccc(c1)Cl)CCCC3
STK556419
Synonyms: 1,3-dimethyl-8-(3-methylphenyl)-7-(3-nitrophenyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: Cc1cccc(c1)n1c(cn2c1nc1c2c(=O)n(c(=O)n1C)C)c1cccc(c1)[N+](=O)[O-]
STK556420
Synonyms: 4-{(E)-[2-({1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-fluorophenoxy)methyl]-1H-1,2,3-triazol-4-yl}carbonyl)hydrazinylidene]methyl}-2-methoxyphenylacetate
Smiles: COc1cc(/C=N/NC(=O)c2nnn(c2COc2ccc(cc2)F)c2nonc2N)ccc1OC(=O)C
STK556422
Synonyms: (6Z)-5-imino-6-[4-(methylsulfanyl)benzylidene]-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CSc1ccc(cc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1
STK556423
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3,5-dichloro-2-methoxyphenyl)methylidene]-5-[(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: COc1c(/C=N/NC(=O)c2nnn(c2CSC2=NCCS2)c2nonc2N)cc(cc1Cl)Cl
STK556425
Synonyms: 2-{[3-(3-methylphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
Smiles: O=C(Nc1ccccc1C(F)(F)F)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)C)CCCCC3
STK556429
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(2E)-butan-2-ylidene]-5-[(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CC/C(=N/NC(=O)c1nnn(c1CSC1=NCCS1)c1nonc1N)/C
STK556431
Synonyms: (8S,8aR,11aS,11bS)-10-(3,5-dichlorophenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide
Smiles: NC(=O)[C@@H]1[C@H]2[C@@H]([C@@H]3N1C=Cc1c3cccc1)C(=O)N(C2=O)c1cc(Cl)cc(c1)Cl
STK556432
Synonyms: 2-[(E)-{2-[4-(3-methylphenyl)piperazin-1-yl]-4-oxo-1,3-thiazol-5(4H)-ylidene}methyl]phenylbenzenesulfonate
Smiles: Cc1cccc(c1)N1CCN(CC1)C1=NC(=O)/C(=C\c2ccccc2OS(=O)(=O)c2ccccc2)/S1
STK556434
Synonyms: N~1~-[(E)-{2-[(4-nitrobenzyl)oxy]phenyl}methylidene]-1H-tetrazole-1,5-diamine
Smiles: Nc1nnnn1/N=C/c1ccccc1OCc1ccc(cc1)[N+](=O)[O-]
STK556435
Synonyms: [4-(benzyloxy)phenyl][(2-methoxyphenyl)amino]acetonitrile
Smiles: N#CC(c1ccc(cc1)OCc1ccccc1)Nc1ccccc1OC
STK556436
Synonyms: 3-(2-chlorophenyl)-6-(2-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: Cc1ccccc1c1sc2n(n1)c(nn2)c1ccccc1Cl
STK556438
Synonyms: 5-(4-chlorophenyl)-3-(2-chloroquinolin-3-yl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Clc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1cc2ccccc2nc1Cl
STK556440
Synonyms: 6-(1,3-benzodioxol-5-yl)-3-(4-ethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: CCOc1ccc(cc1)c1nnc2n1N=C(CS2)c1ccc2c(c1)OCO2
STK556441
Synonyms: N~4~-(4-ethoxyphenyl)-N~2~-(3-methoxypropyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: COCCCNc1nc(Nc2ccc(cc2)OCC)c(c(n1)N)[N+](=O)[O-]
STK556443
Synonyms: 1-(1-benzyl-5-methoxy-2-methyl-1H-indol-3-yl)-2-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)ethanol
Smiles: COc1ccc2c(c1)c(C(CN1CCC3(CC1)OCCO3)O)c(n2Cc1ccccc1)C
STK556444
Synonyms: 1-(2-hydroxyethyl)-2-imino-10-methyl-5-oxo-N-(pyridin-3-ylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
Smiles: OCCn1c(=N)c(cc2c1nc1c(C)cccn1c2=O)C(=O)NCc1cccnc1
STK556446
Synonyms: 3-(3-methylphenyl)-6-(naphthalen-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: Cc1cccc(c1)c1nnc2n1N=C(CS2)c1ccc2c(c1)cccc2
STK556447
Synonyms: (2E)-3-(1,3-benzodioxol-5-yl)-N-[(2-{[(1S,2S)-2-phenylcyclopropyl]carbonyl}hydrazinyl)carbonothioyl]prop-2-enamide
Smiles: S=C(NC(=O)/C=C/c1ccc2c(c1)OCO2)NNC(=O)[C@H]1C[C@@H]1c1ccccc1
STK556449
Synonyms: 5-(4-methylphenyl)-7-(3-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
Smiles: Cc1ccc(cc1)C1=CC(n2c(N1)ncn2)c1cccc(c1)[N+](=O)[O-]
STK556450
Synonyms: (5Z)-5-{[3-(3-butoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCCCOc1cccc(c1)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CC1CCCO1)c1ccccc1
STK556451
Synonyms: 2-[(naphthalen-2-yloxy)methyl]-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclohexane]
Smiles: C1CCC2(CC1)Cc1ccccc1c1c2c2nc(nn2cn1)COc1ccc2c(c1)cccc2
STK556452
Synonyms: 2-imino-1-(4-methoxybenzyl)-5-oxo-N-(1-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
Smiles: COc1ccc(cc1)Cn1c(=N)c(cc2c1nc1ccccn1c2=O)C(=O)NC(c1ccccc1)C
STK556456
Synonyms: (6Z)-5-imino-6-[3-methoxy-4-(2-phenoxyethoxy)benzylidene]-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1cc(ccc1OCCOc1ccccc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1
STK556457
Synonyms: N~2~-(4-methylphenyl)-5-nitro-N~4~-(tetrahydrofuran-2-ylmethyl)pyrimidine-2,4,6-triamine
Smiles: Cc1ccc(cc1)Nc1nc(NCC2CCCO2)c(c(n1)N)[N+](=O)[O-]
STK556458
Synonyms: (4aR,4bS,7aR,8S)-6-(4-bromophenyl)-5,7-dioxo-N-phenyl-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-8-carboxamide
Smiles: O=C([C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1)Br)Nc1ccccc1
STK556460
Synonyms: 4-[3-(2-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-N,N-dimethylaniline
Smiles: Clc1ccccc1c1nnc2n1nc(s2)c1ccc(cc1)N(C)C
STK556462
Synonyms: N-(4-acetylphenyl)-2-[3-(3-chlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]acetamide
Smiles: O=C(Cn1c2sc3c(c2c(=O)n(c1=O)c1cccc(c1)Cl)CCCC3)Nc1ccc(cc1)C(=O)C
STK556464
Synonyms: 2-[(4-bromobenzyl)sulfanyl]-3-(4-methoxyphenyl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Smiles: COc1ccc(cc1)n1c(SCc2ccc(cc2)Br)nc2c(c1=O)c1CCN(Cc1s2)C
STK556465
Synonyms: 4-{(2E)-2-[(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl}-N-(4-methoxyphenyl)-4-oxobutanamide
Smiles: COc1ccc(cc1)NC(=O)CCC(=O)N/N=C/c1c(C)nn(c1Cl)c1ccccc1
STK556466
Synonyms: ethyl{[3-(2-ethoxy-2-oxoethoxy)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetate
Smiles: CCOC(=O)CSc1nc2ccccc2c(=O)n1OCC(=O)OCC
STK556469
Synonyms: (6E)-5-imino-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-6-{[1-(2-phenoxyethyl)-1H-indol-3-yl]methylidene}-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C(N1CCCC1)Cc1nn2c(=NC(=O)/C(=C/c3cn(c4c3cccc4)CCOc3ccccc3)/C2=N)s1
STK556470
Synonyms: 2-[(3-butyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]-N-(3-chloro-4-methoxyphenyl)acetamide
Smiles: CCCCn1c(SCC(=O)Nc2ccc(c(c2)Cl)OC)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1
STK556471
Synonyms: 5-(4-bromophenyl)-3-(2-methoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: COc1ccccc1C1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)Br)c1ccccc1
STK556472
Synonyms: 2-(piperidin-1-ylmethyl)-6,7,8,9-tetrahydro-5H-[1]benzothieno[2,3-d][1,3]thiazolo[3,2-a]pyrimidin-5-one
Smiles: O=c1n2cc(sc2nc2c1c1CCCCc1s2)CN1CCCCC1
STK556473
Synonyms: 2-{[6,6-dimethyl-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
Smiles: CCCSc1nc(SCC(=O)Nc2nccs2)c2c(n1)sc1c2CC(OC1)(C)C
STK556474
Synonyms: 4-(4-chlorophenyl)-7-methyl-1-[(3-methylbutyl)sulfanyl]-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: CC(CCSc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)Cl)CC(CC3)C)C
STK556475
Synonyms: 4-{(E)-[5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}-2-methoxyphenyl4-chlorobenzoate
Smiles: COc1cc(ccc1OC(=O)c1ccc(cc1)Cl)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)c1cccnc1
STK556476
Synonyms: (3aR,6aS)-3-(2,4-dichlorophenyl)-5-(3-nitrophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: Clc1ccc(c(c1)Cl)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1cccc(c1)[N+](=O)[O-]
STK556477
Synonyms: 4-butyl-N-(3-methoxypropyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-amine
Smiles: CCCCc1nc2sc3c(c2c2c1CCC2)ncnc3NCCCOC
STK556478
Synonyms: 4-chloro-N-[1-(4-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
Smiles: Cc1ccc(cc1)N1C(=O)NC(C1=O)(NC(=O)c1ccc(cc1)Cl)C(F)(F)F
STK556479
Synonyms: 2-[(6-bromo-2-methylquinolin-4-yl)sulfanyl]-N'-[(E)-(4-bromophenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1cc(C)nc2c1cc(Br)cc2)N/N=C/c1ccc(cc1)Br
STK556481
Synonyms: 9-(propan-2-yl)-2-(pyridin-3-yl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: CC(N1CCc2c(C1)sc1c2c2nc(nn2cn1)c1cccnc1)C
STK556482
Synonyms: 3-(4-methylphenyl)-2-phenyl-5-(4-propoxyphenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: CCCOc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccc(cc1)C
STK556483
Synonyms: 4-{[(8R,8aR,11aS,11bS)-10-(4-methoxyphenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinolin-8-yl]carbonyl}phenylacetate
Smiles: COc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@H]2C(=O)c2ccc(cc2)OC(=O)C)C=Cc2c1cccc2
STK556484
Synonyms: ethyl3-{[(2,2-dibromo-1-methylcyclopropyl)carbonyl]amino}-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)C1(C)CC1(Br)Br)cccc2
STK556485
Synonyms: 4-{(5Z)-5-[(3-{3-[(4-fluorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoicacid
Smiles: OC(=O)CCCN1C(=S)S/C(=C\c2cn(nc2c2cccc(c2)OCc2ccc(cc2)F)c2ccccc2)/C1=O
STK556487
Synonyms: 5-(morpholin-4-yl)-2-(4-nitrophenyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-1-amine
Smiles: [O-][N+](=O)c1ccc(cc1)c1sc2c(c1N)c1CCCCc1c(n2)N1CCOCC1
STK556488
Synonyms: 2-{[6,6-dimethyl-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Smiles: CCCSc1nc(SCC(=O)Nc2ccc(cc2)C)c2c(n1)sc1c2CC(OC1)(C)C
STK556489
Synonyms: N-(4-chlorophenyl)-2-{[6,6-dimethyl-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
Smiles: CCCSc1nc(SCC(=O)Nc2ccc(cc2)Cl)c2c(n1)sc1c2CC(OC1)(C)C
STK556490
Synonyms: 3-methyl-7-{[3-(pyrrolidin-1-yl)propyl]amino}-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione
Smiles: Cc1ccc2c(c1)oc1c([nH]2)c2c(c(c1)NCCCN1CCCC1)c(=O)c1c(c2=O)cccc1
STK556491
Synonyms: 2-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide
Smiles: COc1ccc(cc1)c1nnc(n1c1ccc(cc1)Cl)SCC(=O)Nc1cccc2c1cccc2
STK556492
Synonyms: 3-[2-(diethylamino)ethyl]-7-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: CCN(CCn1cnc2c(c1=O)[nH]c1c2ccc(c1)OC)CC
STK556493
Synonyms: 4-{[(4aS,4bR,7aS,8R)-6-(2,4-dimethylphenyl)-5,7-dioxo-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazin-8-yl]carbonyl}phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C(=O)[C@@H]1N2N=CC=C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1C)C
STK556494
Synonyms: (1'S,2'S,3R,3a'R)-2'-[(2-chlorophenyl)carbonyl]-1'-(phenylcarbonyl)-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: O=C([C@H]1N2c3ccccc3C=C[C@@H]2[C@]2([C@@H]1C(=O)c1ccccc1Cl)C(=O)Nc1c2cccc1)c1ccccc1
STK556495
Synonyms: N-(5-chloro-2-methylphenyl)-2-[(4-oxo-3-phenyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]acetamide
Smiles: O=C(Nc1cc(Cl)ccc1C)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1)CCCCC3
STK556496
Synonyms: N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-hydroxyheptanamide
Smiles: CCCCCCC(=O)N(C1CC(=O)N(C1=O)c1ccc(cc1)F)O
STK556497
Synonyms: 5-benzyl-2-phenyl-3-propyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: CCCC1C2C(=O)N(C(=O)C2ON1c1ccccc1)Cc1ccccc1
STK556498
Synonyms: 6-(1,3-benzodioxol-5-yl)-3-(3-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: Cc1cccc(c1)c1nnc2n1N=C(CS2)c1ccc2c(c1)OCO2
STK556500
Synonyms: 3-(3-ethoxyphenyl)-6-(3-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: CCOc1cccc(c1)c1nnc2n1nc(s2)c1cccc(c1)C
STK556501
Synonyms: (6Z)-6-{4-[2-(2,6-dimethylphenoxy)ethoxy]-3-methoxybenzylidene}-5-imino-2-(thiophen-2-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1cc(ccc1OCCOc1c(C)cccc1C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccs1
STK556502
Synonyms: 2-[(5Z)-5-{[3-(3-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]ethanesulfonicacid
Smiles: CCOc1cccc(c1)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CCS(=O)(=O)O)c1ccccc1
STK556503
Synonyms: N-(2-chlorophenyl)-2-[(3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)sulfanyl]acetamide
Smiles: CCn1c(SCC(=O)Nc2ccccc2Cl)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1
STK556504
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-{(E)-[4-(benzyloxy)phenyl]methylidene}-5-[(4-fluorophenoxy)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: Fc1ccc(cc1)OCc1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccc(cc1)OCc1ccccc1
STK556507
Synonyms: 2-{[10,10-dimethyl-5-(propylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-N-(2-methylphenyl)acetamide
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCC(=O)Nc1ccccc1C)nn2)CC(OC3)(C)C
STK556508
Synonyms: 5-(4-bromophenyl)-3-(4-hydroxy-3-methoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: COc1cc(ccc1O)C1C2C(=O)N(C(=O)C2ON1c1ccccc1)c1ccc(cc1)Br
STK556510
Synonyms: 2-[(5-{[(4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(pyridin-3-ylmethyl)acetamide
Smiles: O=C(CSc1nnc(n1c1ccccc1)CSc1nc(N)c2c(n1)sc1c2CCC1)NCc1cccnc1
STK556511
Synonyms: methylN-({1-[(4-methylphenyl)sulfonyl]piperidin-4-yl}carbonyl)-L-valinate
Smiles: COC(=O)[C@H](C(C)C)NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)C
STK556512
Synonyms: N-(1-butyl-1H-pyrazolo[3,4-b]quinolin-3-yl)-3-methoxybenzamide
Smiles: CCCCn1nc(c2c1nc1ccccc1c2)NC(=O)c1cccc(c1)OC
STK556513
Synonyms: 5-(benzylsulfanyl)-3-(heptylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CCCCCCCSc1nnc2n1c(SCc1ccccc1)nc1c2c2CCCCc2s1
STK556514
Synonyms: 4-(3-ethylphenoxy)-2-(pyridin-2-yl)quinazoline
Smiles: CCc1cccc(c1)Oc1nc(nc2c1cccc2)c1ccccn1
STK556515
Synonyms: 3-(3-chlorophenyl)-6-(2,6-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: COc1cccc(c1c1nn2c(s1)nnc2c1cccc(c1)Cl)OC
STK556516
Synonyms: 3-(2-chloro-4-nitrophenyl)-2-[(E)-2-(4-chlorophenyl)ethenyl]-6-iodoquinazolin-4(3H)-one
Smiles: Clc1ccc(cc1)/C=C/c1nc2ccc(cc2c(=O)n1c1ccc(cc1Cl)[N+](=O)[O-])I
STK556517
Synonyms: 5-(2-methylphenyl)-2-phenyl-3-(pyridin-3-yl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Cc1ccccc1N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1cccnc1
STK556518
Synonyms: 2,2-dimethyl-N-(6-methyl-1-propyl-1H-pyrazolo[3,4-b]quinolin-3-yl)propanamide
Smiles: CCCn1nc(c2c1nc1ccc(cc1c2)C)NC(=O)C(C)(C)C
STK556519
Synonyms: 6-(4-benzylpiperazin-1-yl)-2-(4-benzylpiperidin-1-yl)-5-nitropyrimidin-4-amine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCN(CC1)Cc1ccccc1)N1CCC(CC1)Cc1ccccc1
STK556520
Synonyms: 2-[3-(4-chlorophenyl)-6,6-dimethyl-2,4-dioxo-3,4,5,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1(6H)-yl]-N-(2,4-dimethoxyphenyl)acetamide
Smiles: COc1cc(OC)ccc1NC(=O)Cn1c2sc3c(c2c(=O)n(c1=O)c1ccc(cc1)Cl)CC(OC3)(C)C
STK556521
Synonyms: ethyl(1R,2R,3R,3aS)-1-{[4-(acetyloxy)phenyl]carbonyl}-3-cyano-2-phenyl-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Smiles: CCOC(=O)[C@]1(C#N)[C@@H](c2ccccc2)[C@@H](N2[C@H]1C=Cc1c2cccc1)C(=O)c1ccc(cc1)OC(=O)C
STK556522
Synonyms: 3,3'-(hydroxyimino)bis[1-(3-chloro-2-methylphenyl)pyrrolidine-2,5-dione]
Smiles: ON(C1CC(=O)N(C1=O)c1cccc(c1C)Cl)C1CC(=O)N(C1=O)c1cccc(c1C)Cl
STK556523
Synonyms: 2-(morpholin-4-yl)-5-nitro-6-(pyrrolidin-1-yl)pyrimidin-4-amine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCCC1)N1CCOCC1
STK556524
Synonyms: (6Z)-6-[4-(benzyloxy)-3-chloro-5-ethoxybenzylidene]-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCOc1cc(cc(c1OCc1ccccc1)Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1
STK556527
Synonyms: N'-[2,2-dimethyl-10-(methylsulfanyl)-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]-N,N-dimethylethane-1,2-diamine
Smiles: CSc1nc(NCCN(C)C)c2c(n1)c1c(s2)nc(c2c1CC(C)(C)OC2)N1CCOCC1
STK556528
Synonyms: 2,2-dimethyl-8-(4-methylpiperazin-1-yl)-5-(2-methylpropyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: CC(Cc1nc2sc3c(c2c2c1COC(C2)(C)C)ncnc3N1CCN(CC1)C)C
STK556529
Synonyms: 9-bromo-5-(4-methylphenyl)-2-(thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Smiles: Cc1ccc(cc1)C1Oc2ccc(cc2C2N1N=C(C2)c1cccs1)Br
STK556533
Synonyms: 5-(4-bromophenyl)-3-(2,5-dimethoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: COc1ccc(c(c1)C1C2C(=O)N(C(=O)C2ON1c1ccccc1)c1ccc(cc1)Br)OC
STK556535
Synonyms: 3-[5-(2,4-dimethylphenoxy)pentyl]-2-(4-methoxyphenyl)quinazolin-4(3H)-one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCCOc1ccc(cc1C)C
STK556539
Synonyms: (6Z)-6-{4-[2-(2-chlorophenoxy)ethoxy]benzylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(cc1)OCCOc1ccccc1Cl)c1cccnc1
STK556541
Synonyms: 1-phenyl-1H-tetrazol-5-yl(1E)-N-(4-methylphenyl)-2-oxo-2-phenylethanehydrazonothioate
Smiles: Cc1ccc(cc1)N/N=C(\C(=O)c1ccccc1)/Sc1nnnn1c1ccccc1
STK556542
Synonyms: (1'S,2'S,3R,3a'R)-1'-(2,2-dimethylpropanoyl)-7'-methoxy-2'-[(4-pentylphenyl)carbonyl]-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: CCCCCc1ccc(cc1)C(=O)[C@@H]1[C@H](N2[C@@H]([C@]31C(=O)Nc1c3cccc1)C=Cc1c2ccc(c1)OC)C(=O)C(C)(C)C
STK556543
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-{4-[(3-chlorobenzyl)oxy]phenyl}methylidene]-5-[(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: Clc1cccc(c1)COc1ccc(cc1)/C=N/NC(=O)c1nnn(c1CSC1=NCCS1)c1nonc1N
STK556544
Synonyms: 3-(3-chlorophenyl)-1-(2-oxo-2-phenylethyl)-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
Smiles: Clc1cccc(c1)n1c(=O)c2c3CCCc3sc2n(c1=O)CC(=O)c1ccccc1
STK556545
Synonyms: 2-[(3-ethyl-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide
Smiles: CCn1c(SCC(=O)NCCc2ccccc2)nc2c(c1=O)c1CCN(Cc1s2)C
STK556546
Synonyms: 2-{[2-(4-methoxyphenyl)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]sulfanyl}-N-phenylpropanamide
Smiles: COc1ccc(cc1)c1nc(SC(C(=O)Nc2ccccc2)C)c2c(n1)CC(OC2)(C)C
STK556547
Synonyms: 4-(benzylsulfanyl)-6-ethyl-6-methyl-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Smiles: CCCSc1nc(SCc2ccccc2)c2c(n1)sc1c2CC(OC1)(C)CC
STK556548
Synonyms: 4-[(2,6-dichlorobenzyl)sulfanyl]-6,6-dimethyl-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Smiles: CCCSc1nc(SCc2c(Cl)cccc2Cl)c2c(n1)sc1c2CC(OC1)(C)C
STK556549
Synonyms: 3-{4-[(5Z)-5-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl}propanenitrile
Smiles: N#CCCN1CCN(CC1)C1=NC(=O)/C(=C/c2ccc(o2)c2ccc(cc2)[N+](=O)[O-])/S1
STK556550
Synonyms: 3-(2-chloroquinolin-3-yl)-2,5-diphenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Clc1nc2ccccc2cc1C1N(OC2C1C(=O)N(C2=O)c1ccccc1)c1ccccc1
STK556551
Synonyms: 4-[(2-chlorobenzyl)sulfanyl]-6-ethyl-6-methyl-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Smiles: CCCSc1nc(SCc2ccccc2Cl)c2c(n1)sc1c2CC(OC1)(C)CC
STK556552
Synonyms: methyl6-methoxy-3-[(2-phenylbutanoyl)amino]-1H-indole-2-carboxylate
Smiles: CCC(c1ccccc1)C(=O)Nc1c([nH]c2c1ccc(c2)OC)C(=O)OC
STK556553
Synonyms: 3-(furan-2-ylmethyl)-2-{[2-oxo-2-(thiophen-2-yl)ethyl]sulfanyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: O=C(c1cccs1)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccco1)CCCCC3
STK556554
Synonyms: N-(2-chlorophenyl)-2-{[4-oxo-3-(prop-2-en-1-yl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccccc2Cl)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1
STK556555
Synonyms: 11-{[(E)-(4-methylphenyl)methylidene]amino}-3-(2-phenylethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: Cc1ccc(cc1)/C=N/n1c2nc3ccccc3nc2c2c1ncn(c2=O)CCc1ccccc1
STK556556
Synonyms: 4-{[(8R,8aR,11aS,11bS)-10-(naphthalen-1-yl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinolin-8-yl]carbonyl}phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C(=O)[C@@H]1N2C=Cc3c([C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1cccc2c1cccc2)cccc3
STK556557
Synonyms: 3-(benzylsulfanyl)-10-ethyl-10-methyl-5-(propylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCc1ccccc1)nn2)CC(OC3)(C)CC
STK556558
Synonyms: 1-(3-bromophenyl)-3-[hydroxy(phenyl)amino]pyrrolidine-2,5-dione
Smiles: Brc1cccc(c1)N1C(=O)CC(C1=O)N(c1ccccc1)O
STK556559
Synonyms: 6-ethyl-6-methyl-12-(prop-2-en-1-yl)-9-(prop-2-en-1-ylsulfanyl)-6,12-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Smiles: C=CCn1c2c3ccccc3CC(c2c(=O)n2c1nnc2SCC=C)(C)CC
STK556561
Synonyms: ethylN-[(1-phenylcyclopentyl)carbonyl]glycinate
Smiles: CCOC(=O)CNC(=O)C1(CCCC1)c1ccccc1
STK556562
Synonyms: (6E)-6-({1-[4-(butan-2-yl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-5-imino-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCC(c1ccc(cc1)n1c(C)cc(c1C)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1)C
STK556563
Synonyms: 2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(1E,2E)-2-methyl-3-[4-(propan-2-yl)phenyl]prop-2-en-1-ylidene}acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Cl)N/N=C/C(=C/c1ccc(cc1)C(C)C)/C
STK556565
Synonyms: (8S,8aR,11aS,11bS)-10-cyclohexyl-8-(2,2-dimethylpropanoyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Smiles: O=C1N(C2CCCCC2)C(=O)[C@@H]2[C@H]1[C@@H]1N([C@@H]2C(=O)C(C)(C)C)C=Cc2c1cccc2
STK556566
Synonyms: 5-(3-methylphenyl)-2-phenyl-3-(pyridin-4-yl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Cc1cccc(c1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccncc1
STK556567
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2,6-dichlorophenyl)methylidene]-5-[(4-fluorophenoxy)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: Fc1ccc(cc1)OCc1c(nnn1c1nonc1N)C(=O)N/N=C/c1c(Cl)cccc1Cl
STK556568
Synonyms: 3-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: COc1ccc2c(c1)[nH]c1c2ncn(c1=O)CCc1ccc(c(c1)OC)OC
STK556569
Synonyms: 6-(4-benzylpiperazin-1-yl)-N~2~,N~2~-diethyl-5-nitropyrimidine-2,4-diamine
Smiles: CCN(c1nc(N2CCN(CC2)Cc2ccccc2)c(c(n1)N)[N+](=O)[O-])CC
STK556570
Synonyms: 4-(4-bromophenyl)-2-(diphenylphosphoryl)-4-oxobutanoicacid
Smiles: OC(=O)C(P(=O)(c1ccccc1)c1ccccc1)CC(=O)c1ccc(cc1)Br
STK556572
Synonyms: 3-[6-(2-ethylphenoxy)hexyl]-2-(4-methoxyphenyl)quinazolin-4(3H)-one
Smiles: CCc1ccccc1OCCCCCCn1c(nc2c(c1=O)cccc2)c1ccc(cc1)OC
STK556573
Synonyms: 2-[(4-amino-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
Smiles: O=C(Nc1nccs1)CSc1nc(N)c2c(n1)sc1c2CC(OC1)(C)C
STK556574
Synonyms: (4aR,4bS,7aR,8S)-6-(4-acetylphenyl)-8-(2,2-dimethylpropanoyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: CC(=O)c1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=CC=N1)C(=O)C(C)(C)C
STK556575
Synonyms: 6-(azepan-1-yl)-N~2~-(4-methylbenzyl)-5-nitropyrimidine-2,4-diamine
Smiles: Cc1ccc(cc1)CNc1nc(N)c(c(n1)N1CCCCCC1)[N+](=O)[O-]
STK556577
Synonyms: 4-{(2E)-2-[(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl}-N-(4-ethoxyphenyl)-4-oxobutanamide
Smiles: CCOc1ccc(cc1)NC(=O)CCC(=O)N/N=C/c1c(C)nn(c1Cl)c1ccccc1
STK556578
Synonyms: 2-{[2-(benzylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}-N-phenylacetamide
Smiles: O=C(Nc1ccccc1)CSc1nc(SCc2ccccc2)nc2c1c1CC(C)(C)OCc1s2
STK556580
Synonyms: 5-(4-chlorophenyl)-3-(4-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Clc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccc(cc1)[N+](=O)[O-]
STK556581
Synonyms: N~2~-(butan-2-yl)-N~4~-(4-ethoxyphenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: CCOc1ccc(cc1)Nc1nc(NC(CC)C)nc(c1[N+](=O)[O-])N
STK556583
Synonyms: (2Z)-2-cyano-N-(4-methylphenyl)-2-[(5E)-3-(2-methylphenyl)-4-oxo-5-(2-propoxybenzylidene)-1,3-thiazolidin-2-ylidene]ethanamide
Smiles: CCCOc1ccccc1/C=c\1/s/c(=C(\C(=O)Nc2ccc(cc2)C)/C#N)/n(c1=O)c1ccccc1C
STK556584
Synonyms: 6-methoxy-4-methylquinoline-2-thiol
Smiles: COc1ccc2c(c1)c(C)cc(n2)S
STK556586
Synonyms: 2-(benzylsulfanyl)-6,6-dimethyl-4-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Smiles: CSc1nc(SCc2ccccc2)nc2c1c1CC(C)(C)OCc1s2
STK556587
Synonyms: 2-[4-(2-bromo-4-methylphenoxy)quinazolin-2-yl]-6-methoxyphenol
Smiles: COc1cccc(c1O)c1nc(Oc2ccc(cc2Br)C)c2c(n1)cccc2
STK556590
Synonyms: 5-(benzylsulfanyl)-3-[(2-methylprop-2-en-1-yl)sulfanyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CC(=C)CSc1nnc2n1c(SCc1ccccc1)nc1c2c2CCCCc2s1
STK556591
Synonyms: N-[(2E)-3-cyano-10-methyl-5-oxo-1-(propan-2-yl)-1,5-dihydro-2H-pyrido[1,2-g][1,6]naphthyridin-2-ylidene]thiophene-2-carboxamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)c1cccs1)C(C)C)cc1n(c2=O)cccc1C
STK556592
Synonyms: 3,6-bis(3-ethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: CCOc1cccc(c1)c1nn2c(s1)nnc2c1cccc(c1)OCC
STK556594
Synonyms: (6Z)-5-imino-2-[2-(morpholin-4-yl)-2-oxoethyl]-6-[(5-phenylfuran-2-yl)methylidene]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C(N1CCOCC1)Cc1nn2c(=NC(=O)/C(=C\c3ccc(o3)c3ccccc3)/C2=N)s1
STK556595
Synonyms: 3-(2-methoxyphenyl)-5-(3-methylphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: COc1ccccc1C1N(OC2C1C(=O)N(C2=O)c1cccc(c1)C)c1ccccc1
STK556597
Synonyms: N-(2-bromo-5-nitrophenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
Smiles: O=C(C12CCC(C2(C)C)(C(=O)C1)C)Nc1cc(ccc1Br)[N+](=O)[O-]
STK556598
Synonyms: 6-(4-benzylpiperazin-1-yl)-N~2~-(2-methoxyethyl)-5-nitropyrimidine-2,4-diamine
Smiles: COCCNc1nc(N2CCN(CC2)Cc2ccccc2)c(c(n1)N)[N+](=O)[O-]
STK556599
Synonyms: N~2~-(3-methylphenyl)-5-nitro-N~4~-(tetrahydrofuran-2-ylmethyl)pyrimidine-2,4,6-triamine
Smiles: Cc1cccc(c1)Nc1nc(NCC2CCCO2)c(c(n1)N)[N+](=O)[O-]
STK556600
Synonyms: 3-(4-tert-butylphenyl)-6-(2,5-dimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: COc1ccc(c(c1)C1=Nn2c(SC1)nnc2c1ccc(cc1)C(C)(C)C)OC
STK556601
Synonyms: (5Z)-5-{[3-(3-butoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-(2-methylpropyl)-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCCCOc1cccc(c1)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CC(C)C)c1ccccc1
STK556603
Synonyms: (6Z)-5-imino-6-{4-[(4-nitrobenzyl)oxy]benzylidene}-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C(N1CCCC1)Cc1nn2c(=NC(=O)/C(=C\c3ccc(cc3)OCc3ccc(cc3)[N+](=O)[O-])/C2=N)s1
STK556604
Synonyms: methylN-{[4-(pentafluorophenoxy)phenyl]carbamoyl}-L-phenylalaninate
Smiles: COC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccc(cc1)Oc1c(F)c(F)c(c(c1F)F)F
STK556605
Synonyms: 2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(5-nitrothiophen-2-yl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Cl)N/N=C/c1ccc(s1)[N+](=O)[O-]
STK556606
Synonyms: 2-{[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2-fluorophenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccc(cc1)Br)N/N=C/c1ccccc1F
STK556609
Synonyms: 5-(naphthalen-2-yl)-2-phenyl-3-propyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: CCCC1N(OC2C1C(=O)N(C2=O)c1ccc2c(c1)cccc2)c1ccccc1
STK556610
Synonyms: 1-(4-chlorobenzyl)-3-[(4-chlorobenzyl)sulfanyl]-6,7,8,9-tetrahydro[1]benzothieno[2,3-d][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one
Smiles: Clc1ccc(cc1)CSc1nn(c2n1c(=O)c1c(n2)sc2c1CCCC2)Cc1ccc(cc1)Cl
STK556612
Synonyms: 2-methyl-N-(1-propyl-1H-pyrazolo[3,4-b]quinolin-3-yl)benzamide
Smiles: CCCn1nc(c2c1nc1ccccc1c2)NC(=O)c1ccccc1C
STK556613
Synonyms: 4-({(2'S,3S,3'S,10b'R)-2'-[(2-chlorophenyl)carbonyl]-2-oxo-1,2,2',3'-tetrahydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-3'-yl}carbonyl)phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccccc1Cl)C(=O)Nc1c2cccc1)cccc3
STK556615
Synonyms: 9-bromo-5-[4-(propan-2-yl)phenyl]-2-(thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Smiles: Brc1ccc2c(c1)C1CC(=NN1C(O2)c1ccc(cc1)C(C)C)c1cccs1
STK556617
Synonyms: N-[(1-phenylcyclopentyl)methyl]-N'-(2-phenylethyl)ethanediamide
Smiles: O=C(C(=O)NCCc1ccccc1)NCC1(CCCC1)c1ccccc1
STK556618
Synonyms: (6Z)-6-{3-ethoxy-4-[(4-methylbenzyl)oxy]benzylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCOc1cc(ccc1OCc1ccc(cc1)C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1
STK556619
Synonyms: 2-(4-ethylpiperazin-1-yl)-6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine
Smiles: CCN1CCN(CC1)c1nc(N2CCN(CC2)C)c(c(n1)N)[N+](=O)[O-]
STK556621
Synonyms: 6-tert-butyl-3-(3-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: Cc1cccc(c1)c1nnc2n1N=C(CS2)C(C)(C)C
STK556622
Synonyms: methyl3-[(1,3-benzodioxol-5-ylcarbonyl)amino]-6-methoxy-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)c1ccc3c(c1)OCO3)ccc(c2)OC
STK556624
Synonyms: 5-benzyl-3-(4-methylphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Cc1ccc(cc1)C1C2C(=O)N(C(=O)C2ON1c1ccccc1)Cc1ccccc1
STK556626
Synonyms: 2-{[5-(4-methoxyphenyl)-8,8-dimethyl-7,10-dihydro-8H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-N-(2-methylphenyl)acetamide
Smiles: COc1ccc(cc1)c1nc2CC(C)(C)OCc2c2n1c(SCC(=O)Nc1ccccc1C)nn2
STK556627
Synonyms: (6Z)-5-imino-6-{4-[(4-methylbenzyl)oxy]benzylidene}-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: Cc1ccc(cc1)COc1ccc(cc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1
STK556628
Synonyms: (6Z)-6-{3-chloro-4-[(4-fluorobenzyl)oxy]-5-methoxybenzylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1cc(cc(c1OCc1ccc(cc1)F)Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1
STK556630
Synonyms: 3-(3-chlorophenyl)-5-(4-methylphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Cc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1cccc(c1)Cl
STK556631
Synonyms: (2Z)-2-cyano-N-(3-methylphenyl)-2-[(5E)-3-(4-methylphenyl)-4-oxo-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazolidin-2-ylidene]ethanamide
Smiles: N#C/C(=c\1/s/c(=C/c2cc(OC)c(c(c2)OC)OC)/c(=O)n1c1ccc(cc1)C)/C(=O)Nc1cccc(c1)C
STK556632
Synonyms: 2-[(3-butyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]-N-(4-chlorophenyl)acetamide
Smiles: CCCCn1c(SCC(=O)Nc2ccc(cc2)Cl)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1
STK556633
Synonyms: 6-(4-chlorophenyl)-3-(4-ethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: CCOc1ccc(cc1)c1nnc2n1nc(s2)c1ccc(cc1)Cl
STK556635
Synonyms: diethyl3-methyl-5-[(4-nitrophenyl)amino]biphenyl-2,6-dicarboxylate
Smiles: CCOC(=O)c1c(Nc2ccc(cc2)[N+](=O)[O-])cc(c(c1c1ccccc1)C(=O)OCC)C
STK556636
Synonyms: 3-(2-chloroquinolin-3-yl)-5-(3,4-dichlorophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Clc1nc2ccccc2cc1C1N(OC2C1C(=O)N(C2=O)c1ccc(c(c1)Cl)Cl)c1ccccc1
STK556638
Synonyms: 2-[(Z)-{2-[4-(2-nitrophenyl)piperazin-1-yl]-4-oxo-1,3-thiazol-5(4H)-ylidene}methyl]phenylbenzenesulfonate
Smiles: O=C1N=C(S/C/1=C\c1ccccc1OS(=O)(=O)c1ccccc1)N1CCN(CC1)c1ccccc1[N+](=O)[O-]
STK556641
Synonyms: 2-(5-methyl-1H-pyrazol-1-yl)-N'-[(E)-(3,4,5-trimethoxyphenyl)methylidene]acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)Cn2nccc2C)cc(c1OC)OC
STK556642
Synonyms: ethyl{[5-ethyl-5-methyl-4-oxo-3-(2-phenylethyl)-3,4,5,6-tetrahydrobenzo[h]quinazolin-2-yl]sulfanyl}acetate
Smiles: CCOC(=O)CSc1nc2c3ccccc3CC(c2c(=O)n1CCc1ccccc1)(C)CC
STK556645
Synonyms: (6Z)-6-[3-chloro-4-(naphthalen-1-ylmethoxy)benzylidene]-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(c(c1)Cl)OCc1cccc2c1cccc2)c1cccnc1
STK556646
Synonyms: N-(2-chlorobenzyl)-N'-[(1-phenylcyclopentyl)methyl]ethanediamide
Smiles: O=C(C(=O)NCC1(CCCC1)c1ccccc1)NCc1ccccc1Cl
STK556647
Synonyms: 2-{[4-(4-chlorophenyl)-7-methyl-5-oxo-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}-N-phenylacetamide
Smiles: CC1CCc2c(C1)c1c(s2)n2c(SCC(=O)Nc3ccccc3)nnc2n(c1=O)c1ccc(cc1)Cl
STK556648
Synonyms: 3-(2,4-dichlorophenyl)-2-phenyl-5-(4-propoxyphenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: CCCOc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccc(cc1Cl)Cl
STK556649
Synonyms: 2-(4-chlorophenyl)-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}quinoline-4-carbohydrazide
Smiles: Clc1ccc(cc1)c1nc2ccccc2c(c1)C(=O)N/N=C/c1ccc(cc1)N(C)C
STK556650
Synonyms: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-N'-{(E)-[3-methoxy-4-(propan-2-yloxy)phenyl]methylidene}acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)Cn2nc(cc2C)C)ccc1OC(C)C
STK556651
Synonyms: 2-[3-(3-chlorophenyl)-6,6-dimethyl-2,4-dioxo-3,4,5,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1(6H)-yl]-N-(2-phenylethyl)acetamide
Smiles: Clc1cccc(c1)n1c(=O)c2c3CC(C)(C)OCc3sc2n(c1=O)CC(=O)NCCc1ccccc1
STK556653
Synonyms: (6Z)-6-{4-[(4-fluorobenzyl)oxy]benzylidene}-5-imino-2-[2-oxo-2-(piperidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: Fc1ccc(cc1)COc1ccc(cc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCCC1
STK556654
Synonyms: N-(3-chloro-2-methylphenyl)-2-{[3-(2-methylprop-2-en-1-yl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1C)Cl)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC(=C)C)CCCCC3
STK556656
Synonyms: (2E)-3-[(5-methoxy-2-methyl-4-nitrophenyl)amino]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1cc(OC)c(cc1C)[N+](=O)[O-])/c1scc(n1)c1cc2ccccc2oc1=O
STK556657
Synonyms: 2-{[4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(9-ethyl-9H-carbazol-3-yl)acetamide
Smiles: CCn1c2ccc(cc2c2c1cccc2)NC(=O)CSc1nnc(n1c1ccc(cc1)Cl)c1ccncc1
STK556658
Synonyms: 3,6-bis(4-ethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: CCOc1ccc(cc1)c1sc2n(n1)c(nn2)c1ccc(cc1)OCC
STK556659
Synonyms: (4aR,4bS,7aR,8S)-6-(4-fluorophenyl)-5,7-dioxo-N-phenyl-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-8-carboxamide
Smiles: O=C([C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1)F)Nc1ccccc1
STK556661
Synonyms: 2-methyl-7-{[3-(4-phenylpiperazin-1-yl)propyl]amino}-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione
Smiles: Cc1ccc2c(c1)[nH]c1c(o2)cc(c2c1c(=O)c1c(c2=O)cccc1)NCCCN1CCN(CC1)c1ccccc1
STK556662
Synonyms: 8,8-dimethyl-3-pentyl-7,10-dihydro-8H-thiopyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Smiles: CCCCCn1cnc2c(c1=O)sc1c2cc2c(n1)CC(SC2)(C)C
STK556663
Synonyms: 3'-(propan-2-yl)-5'-(4-propoxyphenyl)-3a',6a'-dihydro-2'H-spiro[indene-2,1'-pyrrolo[3,4-c]pyrrole]-1,3,4',6'(3'H,5'H)-tetrone
Smiles: CCCOc1ccc(cc1)N1C(=O)C2C(C1=O)C1(NC2C(C)C)C(=O)c2c(C1=O)cccc2
STK556668
Synonyms: (4aR,4bS,7aR,8S)-6-(2,4-dichlorophenyl)-5,7-dioxo-N-phenyl-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-8-carboxamide
Smiles: O=C([C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1Cl)Cl)Nc1ccccc1
STK556669
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3,4-dihydroxyphenyl)methylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide
Smiles: O=C(c1nnn(c1c1ccccc1)c1nonc1N)N/N=C/c1ccc(c(c1)O)O
STK556670
Synonyms: 6,6-dimethyl-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-4-thiol
Smiles: CCCSc1nc(S)c2c(n1)sc1c2CC(OC1)(C)C
STK556671
Synonyms: 2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-pyridin-3-ylmethylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Cl)N/N=C/c1cccnc1
STK556673
Synonyms: 2-[(3-benzyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
Smiles: O=C(Nc1nccs1)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccccc1)CCCCC3
STK556675
Synonyms: 2-(hexylsulfanyl)-6-iodo-3-(2-methylprop-2-en-1-yl)quinazolin-4(3H)-one
Smiles: CCCCCCSc1nc2ccc(cc2c(=O)n1CC(=C)C)I
STK556676
Synonyms: (1'S,2'S,3R,3a'R)-2'-[(4-chlorophenyl)carbonyl]-1'-(2,2-dimethylpropanoyl)-7'-methoxy-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: COc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)C(C)(C)C)[C@H]([C@@]21C(=O)Nc1c2cccc1)C(=O)c1ccc(cc1)Cl
STK556677
Synonyms: 2-[4-oxo-4-(3-phenylpyrrolidin-1-yl)butyl]-1H-isoindole-1,3(2H)-dione
Smiles: O=C(N1CCC(C1)c1ccccc1)CCCN1C(=O)c2c(C1=O)cccc2
STK556680
Synonyms: 8-(3-chlorophenyl)-7-(3,4-dimethoxyphenyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: COc1cc(ccc1OC)c1cn2c(n1c1cccc(c1)Cl)nc1c2c(=O)n(C)c(=O)n1C
STK556681
Synonyms: 7-chloro-8-[3-(4-methylphenyl)-1-(methylsulfonyl)-4,5-dihydro-1H-pyrazol-5-yl]-2,3-dihydro[1,4]dioxino[2,3-g]quinoline
Smiles: Cc1ccc(cc1)C1=NN(C(C1)c1cc2cc3OCCOc3cc2nc1Cl)S(=O)(=O)C
STK556682
Synonyms: 3-(2-hydroxy-3-methoxyphenyl)-2,5-diphenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: COc1cccc(c1O)C1N(OC2C1C(=O)N(C2=O)c1ccccc1)c1ccccc1
STK556688
Synonyms: (6Z)-5-imino-6-{3-methoxy-4-[(4-nitrobenzyl)oxy]benzylidene}-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1cc(ccc1OCc1ccc(cc1)[N+](=O)[O-])/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1
STK556689
Synonyms: 2-amino-1-(3-fluorophenyl)-N-(4-methylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: Cc1ccc(cc1)NC(=O)c1c2nc3ccccc3nc2n(c1N)c1cccc(c1)F
STK556690
Synonyms: (6Z)-5-imino-6-{4-[2-(3-methoxyphenoxy)ethoxy]benzylidene}-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1cccc(c1)OCCOc1ccc(cc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1
STK556691
Synonyms: N-(3-methoxypropyl)-2,2-dimethyl-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-8-amine
Smiles: COCCCNc1nnnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1
STK556692
Synonyms: [3-(4-methylpiperazin-1-yl)quinoxalin-2-yl](phenylsulfonyl)acetonitrile
Smiles: N#CC(S(=O)(=O)c1ccccc1)c1nc2ccccc2nc1N1CCN(CC1)C
STK556694
Synonyms: 3-[(4-nitrobenzyl)sulfanyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-5-amine
Smiles: [O-][N+](=O)c1ccc(cc1)CSc1nnc2n1c(N)nc1c2c2CCCCc2s1
STK556695
Synonyms: N,N'-[pyrimidine-2,4-diylbis(sulfanediylmethanediyl)]bis(4-fluorobenzamide)
Smiles: Fc1ccc(cc1)C(=O)NCSc1ccnc(n1)SCNC(=O)c1ccc(cc1)F
STK556696
Synonyms: 2-{[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(2E,3E)-4-phenylbut-3-en-2-ylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccc(cc1)Br)N/N=C(/C=C/c1ccccc1)\C
STK556699
Synonyms: 2-{[2,2-dimethyl-5-(2-methylpropyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]sulfanyl}acetamide
Smiles: CC(Cc1nc2sc3c(c2c2c1COC(C2)(C)C)ncnc3SCC(=O)N)C
STK556700
Synonyms: N-(3-chloro-4-methoxyphenyl)-2-{[3-(4-methylphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1Cl)NC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccc(cc1)C)CCCCC3
STK556703
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-1-(4-chlorophenyl)ethylidene]-5-[(4-fluorophenoxy)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: Fc1ccc(cc1)OCc1c(nnn1c1nonc1N)C(=O)N/N=C(/c1ccc(cc1)Cl)\C
STK556704
Synonyms: 11-{[(E)-furan-2-ylmethylidene]amino}-3-(2-phenylethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: O=c1n(CCc2ccccc2)cnc2c1c1nc3ccccc3nc1n2/N=C/c1ccco1
STK556705
Synonyms: (5E)-2-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-5-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-1,3-thiazol-4(5H)-one
Smiles: O=C1N=C(S/C/1=C/c1ccc(o1)c1ccc(cc1)[N+](=O)[O-])N1CCN(CC1)c1ccc(c(c1)Cl)C
STK556706
Synonyms: 3-[2-(cyclohex-1-en-1-yl)ethyl]-7-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: COc1ccc2c(c1)[nH]c1c2ncn(c1=O)CCC1=CCCCC1
STK556707
Synonyms: N-(4-bromophenyl)-2-{[6,6-dimethyl-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
Smiles: CCCSc1nc(SCC(=O)Nc2ccc(cc2)Br)c2c(n1)sc1c2CC(OC1)(C)C
STK556708
Synonyms: (6E)-6-[3-ethoxy-4-(naphthalen-1-ylmethoxy)benzylidene]-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCOc1cc(ccc1OCc1cccc2c1cccc2)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)c1cccnc1
STK556709
Synonyms: 2-{[7,7-dimethyl-2-(4-methylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]sulfanyl}-N-(3-methoxyphenyl)propanamide
Smiles: COc1cccc(c1)NC(=O)C(Sc1nc(nc2c1COC(C2)(C)C)c1ccc(cc1)C)C
STK556710
Synonyms: 4-(3-chlorophenyl)-1-[(4-fluorobenzyl)sulfanyl]-7,7-dimethyl-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: Fc1ccc(cc1)CSc1nnc2n1c1sc3c(c1c(=O)n2c1cccc(c1)Cl)CC(OC3)(C)C
STK556711
Synonyms: N-(2,4-dimethoxyphenyl)-2-{[10-ethyl-10-methyl-5-(methylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamide
Smiles: CCC1(C)OCc2c(C1)c1c(s2)nc(n2c1nnc2SCC(=O)Nc1ccc(cc1OC)OC)SC
STK556712
Synonyms: 2-{[6-iodo-3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)N)nc2c(c1=O)cc(cc2)I
STK556713
Synonyms: (1'S,2'S,3R,3a'R)-1'-(2,2-dimethylpropanoyl)-7'-methoxy-2'-[(4-methoxyphenyl)carbonyl]-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: COc1ccc(cc1)C(=O)[C@@H]1[C@H](N2[C@@H]([C@]31C(=O)Nc1c3cccc1)C=Cc1c2ccc(c1)OC)C(=O)C(C)(C)C
STK556714
Synonyms: 2-(4-chlorophenyl)-N'-[(1E)-1-(5-chlorothiophen-2-yl)ethylidene]quinoline-4-carbohydrazide
Smiles: Clc1ccc(cc1)c1nc2ccccc2c(c1)C(=O)N/N=C(/c1ccc(s1)Cl)\C
STK556715
Synonyms: (5Z)-5-(2-chlorobenzylidene)-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-1,3-thiazol-4(5H)-one
Smiles: O=C1N=C(S/C/1=C\c1ccccc1Cl)N1CCN(CC1)c1cccc(c1)C(F)(F)F
STK556716
Synonyms: ethyl(1'R,2'R)-2'-(4-bromophenyl)-1,3-dioxo-1,1',2',3-tetrahydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1'-carboxylate
Smiles: CCOC(=O)[C@@H]1N2c3ccccc3C=CC2[C@@]2([C@H]1c1ccc(cc1)Br)C(=O)c1c(C2=O)cccc1
STK556717
Synonyms: 5-(4-fluorophenyl)-3-(2-hydroxy-5-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Fc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1cc(ccc1O)[N+](=O)[O-]
STK556719
Synonyms: 2-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-chloro-4-nitrophenyl)quinazolin-4(3H)-one
Smiles: Brc1ccc(cc1)/C=C/c1nc2ccccc2c(=O)n1c1ccc(cc1Cl)[N+](=O)[O-]
STK556720
Synonyms: 3-[(Z)-(3-cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(3,4-dihydroisoquinolin-2(1H)-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: S=C1S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCc3c(C2)cccc3)/C(=O)N1C1CCCCC1
STK556722
Synonyms: (4-methoxyphenyl)(phenylamino)acetonitrile
Smiles: COc1ccc(cc1)C(Nc1ccccc1)C#N
STK556723
Synonyms: 2-[(4-chlorobenzyl)sulfanyl]-3-ethyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one
Smiles: CCn1c(SCc2ccc(cc2)Cl)nc2c(c1=O)cc1c(n2)CCCC1
STK556724
Synonyms: 2-{[2-oxo-2-(thiophen-2-yl)ethyl]sulfanyl}-3-propyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: CCCn1c(SCC(=O)c2cccs2)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1
STK556725
Synonyms: 3-(4-hydroxy-3-methoxyphenyl)-5-(4-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: COc1cc(ccc1O)C1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)[N+](=O)[O-])c1ccccc1
STK556726
Synonyms: 2-(4-methoxyphenyl)-3-(5-phenoxypentyl)quinazolin-4(3H)-one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCCOc1ccccc1
STK556727
Synonyms: 1-[(5Z)-5-({3-[3-(benzyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperidine-4-carboxamide
Smiles: NC(=O)C1CCN(CC1)C1=NC(=O)/C(=C/c2cn(nc2c2cccc(c2)OCc2ccccc2)c2ccccc2)/S1
STK556729
Synonyms: 2-(2,6-dimethylmorpholin-4-yl)-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-amine
Smiles: CCN1CCN(CC1)c1nc(nc(c1[N+](=O)[O-])N)N1CC(C)OC(C1)C
STK556730
Synonyms: 8-bromo-7-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: COc1cc(ccc1OC)C(=O)Cn1c(Br)nc2c1c(=O)n(C)c(=O)n2C
STK556731
Synonyms: (6E)-5-imino-6-{[1-(3-methylbenzyl)-1H-indol-3-yl]methylidene}-2-[2-(morpholin-4-yl)-2-oxoethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: Cc1cccc(c1)Cn1cc(c2c1cccc2)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCOCC1
STK556732
Synonyms: 4-{[(4aS,4bR,7aS,8R)-6-(2,5-dimethoxyphenyl)-5,7-dioxo-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazin-8-yl]carbonyl}phenylacetate
Smiles: COc1ccc(cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1N([C@H]2C(=O)c2ccc(cc2)OC(=O)C)N=CC=C1)OC
STK556733
Synonyms: 2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(6-methylpyridin-2-yl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Cl)N/N=C/c1cccc(n1)C
STK556734
Synonyms: (4-bromophenyl)[(2-methoxyphenyl)amino]acetonitrile
Smiles: N#CC(c1ccc(cc1)Br)Nc1ccccc1OC
STK556735
Synonyms: 8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-5-amine
Smiles: Nc1nc2sc3c(c2c2n1cnn2)CCCC3
STK556736
Synonyms: 3-{(Z)-[3-(furan-2-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(2-hydroxy-2-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: S=C1S/C(=C\c2c(NCC(c3ccccc3)O)nc3n(c2=O)cccc3)/C(=O)N1Cc1ccco1
STK556737
Synonyms: 6-(4-chlorophenyl)-3-(3-ethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: CCOc1cccc(c1)c1nnc2n1nc(s2)c1ccc(cc1)Cl
STK556738
Synonyms: methyl(8S,8aR,11aS,11bS)-10-(3-bromophenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxylate
Smiles: COC(=O)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1C=Cc1c2cccc1)c1cccc(c1)Br
STK556740
Synonyms: N-(3-chloro-2-methylphenyl)-2-{[4-oxo-3-(prop-2-en-1-yl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)Nc2cccc(c2C)Cl)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1
STK556741
Synonyms: 1-(2-hydroxyethyl)-2-imino-5-oxo-N-(pyridin-3-ylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
Smiles: OCCn1c(=N)c(cc2c1nc1ccccn1c2=O)C(=O)NCc1cccnc1
STK556742
Synonyms: 2-bromo-N-(1-propyl-1H-pyrazolo[3,4-b]quinolin-3-yl)benzamide
Smiles: CCCn1nc(c2c1nc1ccccc1c2)NC(=O)c1ccccc1Br
STK556743
Synonyms: (6Z)-6-[4-(benzyloxy)-3-chlorobenzylidene]-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(c(c1)Cl)OCc1ccccc1)c1cccnc1
STK556744
Synonyms: 4-[(5Z)-5-({3-[3-(benzyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoicacid
Smiles: OC(=O)CCCN1C(=S)S/C(=C\c2cn(nc2c2cccc(c2)OCc2ccccc2)c2ccccc2)/C1=O
STK556745
Synonyms: 2-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(diethylamino)phenyl]acetamide
Smiles: COc1ccc(cc1)c1nnc(n1c1ccc(cc1)Cl)SCC(=O)Nc1ccc(cc1)N(CC)CC
STK556746
Synonyms: ethyl{[3-(4-ethoxyphenyl)-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
Smiles: CCOC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)OCC)CCN(C3)C
STK556748
Synonyms: methyl3-{[(2E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino}-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)/C=C/c1ccc3c(c1)OCO3)cccc2
STK556749
Synonyms: 2-(benzylsulfanyl)-6,6-dimethyl-4-[(3-methylbutyl)sulfanyl]-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Smiles: CC(CCSc1nc(SCc2ccccc2)nc2c1c1CC(C)(C)OCc1s2)C
STK556751
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-methylpiperazin-1-yl)methyl]-N'-[(E)-pyridin-2-ylmethylidene]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CN1CCN(CC1)Cc1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccccn1
STK556752
Synonyms: (8S,8aR,11aS,11bS)-10-(2,4-dichlorophenyl)-9,11-dioxo-N-phenyl-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide
Smiles: Clc1ccc(c(c1)Cl)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)Nc2ccccc2)C=Cc2c1cccc2
STK556754
Synonyms: 2-imino-1,10-dimethyl-5-oxo-N-(pyridin-3-ylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
Smiles: O=C(c1cc2c(n(c1=N)C)nc1n(c2=O)cccc1C)NCc1cccnc1
STK556755
Synonyms: (6Z)-6-{3-chloro-4-[(4-fluorobenzyl)oxy]benzylidene}-5-imino-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: Fc1ccc(cc1)COc1ccc(cc1Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1
STK556756
Synonyms: 8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-7-[2-(morpholin-4-yl)ethyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCN1CCN(CC1)Cc1nc2c(n1CCN1CCOCC1)c(=O)n(c(=O)n2C)C
STK556757
Synonyms: (5Z)-5-{4-[(4-nitrobenzyl)oxy]benzylidene}-2-(pyrrolidin-1-yl)-1,3-thiazol-4(5H)-one
Smiles: O=C1N=C(S/C/1=C\c1ccc(cc1)OCc1ccc(cc1)[N+](=O)[O-])N1CCCC1
STK556758
Synonyms: 2-(3-propoxyphenyl)-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclopentane]
Smiles: CCCOc1cccc(c1)c1nn2c(n1)c1c(nc2)c2ccccc2CC21CCCC2
STK556759
Synonyms: (6aR,6bS,9aR,10S)-8-(2,4-dichlorophenyl)-10-(furan-2-ylcarbonyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: Clc1ccc(c(c1)Cl)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=Cc2c1cccc2)C(=O)c1ccco1
STK556760
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3,5-dichloro-2-methoxyphenyl)methylidene]-5-[(dimethylamino)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: COc1c(/C=N/NC(=O)c2nnn(c2CN(C)C)c2nonc2N)cc(cc1Cl)Cl
STK556761
Synonyms: N-(2,4-difluorophenyl)-2-{[3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2F)F)nc2c(c1=O)c1CCCCc1s2
STK556762
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-{(E)-[4-(diethylamino)-2-hydroxyphenyl]methylidene}-5-[(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCN(c1ccc(c(c1)O)/C=N/NC(=O)c1nnn(c1CSC1=NCCS1)c1nonc1N)CC
STK556763
Synonyms: 7-{[3-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)propyl]amino}-3-methyl-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione
Smiles: Cc1ccc2c(c1)oc1c([nH]2)c2c(c(c1)NCCCN1CCC3(CC1)OCCO3)c(=O)c1c(c2=O)cccc1
STK556765
Synonyms: 2-(4-chlorophenyl)-3-[5-(2-ethylphenoxy)pentyl]quinazolin-4(3H)-one
Smiles: CCc1ccccc1OCCCCCn1c(nc2c(c1=O)cccc2)c1ccc(cc1)Cl
STK556767
Synonyms: (6Z)-6-{3-chloro-4-[2-(2,5-dimethylphenoxy)ethoxy]benzylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: Cc1ccc(c(c1)OCCOc1ccc(cc1Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1)C
STK556768
Synonyms: ethylN-({[3-(4-chlorophenyl)-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)glycinate
Smiles: CCOC(=O)CNC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CCC3
STK556770
Synonyms: methyl3-({[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl}amino)-6-methoxy-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CCN(CC1)c1cccc(c1C)C)ccc(c2)OC
STK556771
Synonyms: 2,2-dimethyl-5-(morpholin-4-yl)-9-propyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(9H)-one
Smiles: CCCn1cnc2c(c1=O)sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1
STK556773
Synonyms: 5-(3-chloro-2-methylphenyl)-3-(4-hydroxy-3-methoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: COc1cc(ccc1O)C1N(OC2C1C(=O)N(C2=O)c1cccc(c1C)Cl)c1ccccc1
STK556774
Synonyms: N-(3,4-dimethylphenyl)-2-(4-methylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine
Smiles: CN1CCN(CC1)c1nc(Nc2ccc(c(c2)C)C)c(c(n1)N)[N+](=O)[O-]
STK556775
Synonyms: 5-(3-chloro-2-methylphenyl)-3-(4-chlorophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Clc1ccc(cc1)C1N(OC2C1C(=O)N(C2=O)c1cccc(c1C)Cl)c1ccccc1
STK556776
Synonyms: (2Z)-2-[5-(2-chlorobenzyl)-3-(3,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-methylphenyl)ethanamide
Smiles: N#C/C(=C\1/SC(C(=O)N1c1ccc(c(c1)C)C)Cc1ccccc1Cl)/C(=O)Nc1ccc(cc1)C
STK556777
Synonyms: (6E)-6-({1-[3-(2,5-dimethylphenoxy)propyl]-1H-indol-3-yl}methylidene)-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: Cc1ccc(c(c1)OCCCn1cc(c2c1cccc2)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)c1cccnc1)C
STK556778
Synonyms: N~2~-[3-(morpholin-4-yl)propyl]-5-nitro-6-(piperidin-1-yl)pyrimidine-2,4-diamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCCCC1)NCCCN1CCOCC1
STK556779
Synonyms: 2-(4-bromophenyl)-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclopentane]
Smiles: Brc1ccc(cc1)c1nn2c(n1)c1c(nc2)c2ccccc2CC21CCCC2
STK556780
Synonyms: N~2~-benzyl-N~4~-(2-methoxyphenyl)-N~2~-methyl-5-nitropyrimidine-2,4,6-triamine
Smiles: COc1ccccc1Nc1nc(nc(c1[N+](=O)[O-])N)N(Cc1ccccc1)C
STK556782
Synonyms: 3-(2,4-dimethylphenyl)-2-[(E)-2-(4-ethylphenyl)ethenyl]quinazolin-4(3H)-one
Smiles: CCc1ccc(cc1)/C=C/c1nc2ccccc2c(=O)n1c1ccc(cc1C)C
STK556783
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2-chlorophenyl)methylidene]-5-[(4-fluorophenoxy)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: Fc1ccc(cc1)OCc1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccccc1Cl
STK556785
Synonyms: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-N'-[(1E)-1-(4-methylphenyl)ethylidene]acetohydrazide
Smiles: Cc1ccc(cc1)/C(=N/NC(=O)Cn1nc(cc1C)C)/C
STK556786
Synonyms: (1'R,2'S,4R)-2,2'-diphenyl-1'-(phenylcarbonyl)-1',2'-dihydro-3a'H-spiro[1,3-oxazole-4,3'-pyrrolo[1,2-a]quinolin]-5-one
Smiles: O=C([C@@H]1N2c3ccccc3C=CC2[C@@]2([C@H]1c1ccccc1)N=C(OC2=O)c1ccccc1)c1ccccc1
STK556787
Synonyms: 5,5'-[(4-fluorophenyl)methanediyl]bis(6-hydroxy-1,3-dimethyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one)
Smiles: Fc1ccc(cc1)C(c1c(O)n(C)c(=S)n(c1=O)C)c1c(O)n(C)c(=S)n(c1=O)C
STK556788
Synonyms: N-cyclohexyl-6,6-dimethyl-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
Smiles: CCCSc1nc(NC2CCCCC2)c2c(n1)sc1c2CC(OC1)(C)C
STK556789
Synonyms: (6E)-6-[4-(diethylamino)benzylidene]-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCN(c1ccc(cc1)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)c1cccnc1)CC
STK556790
Synonyms: N~4~-(4-ethoxyphenyl)-N~2~-(3-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: CCOc1ccc(cc1)Nc1nc(Nc2cccc(c2)OC)nc(c1[N+](=O)[O-])N
STK556791
Synonyms: 3-(4-methoxyphenyl)-1-[(4-phenoxybenzyl)oxy]quinoxalin-2(1H)-one4-oxide
Smiles: COc1ccc(cc1)c1c(=O)n(OCc2ccc(cc2)Oc2ccccc2)c2c([n+]1[O-])cccc2
STK556792
Synonyms: N-(1-propyl-1H-pyrazolo[3,4-b]quinolin-3-yl)acetamide
Smiles: CCCn1nc(c2c1nc1ccccc1c2)NC(=O)C
STK556793
Synonyms: methyl3-{[3-(4-carbamoylpiperidin-1-yl)propanoyl]amino}-6-methoxy-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CCN1CCC(CC1)C(=O)N)ccc(c2)OC
STK556794
Synonyms: 6,6-dimethyl-4-(propan-2-ylsulfanyl)-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Smiles: CCCSc1nc(SC(C)C)c2c(n1)sc1c2CC(OC1)(C)C
STK556795
Synonyms: 3-(2-chlorophenyl)-6-(4-ethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: CCOc1ccc(cc1)C1=Nn2c(SC1)nnc2c1ccccc1Cl
STK556796
Synonyms: dicyclohexyl{[4-(dimethylamino)phenyl](phenylamino)methyl}phosphonate
Smiles: CN(c1ccc(cc1)C(P(=O)(OC1CCCCC1)OC1CCCCC1)Nc1ccccc1)C
STK556797
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-{3-methoxy-4-[(2-methylbenzyl)oxy]phenyl}methylidene]-5-[(4-methylpiperazin-1-yl)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: COc1cc(/C=N/NC(=O)c2nnn(c2CN2CCN(CC2)C)c2nonc2N)ccc1OCc1ccccc1C
STK556798
Synonyms: 2-[(E)-2-(4-bromophenyl)ethenyl]-3-(2,4-dimethylphenyl)-6-iodoquinazolin-4(3H)-one
Smiles: Brc1ccc(cc1)/C=C/c1nc2ccc(cc2c(=O)n1c1ccc(cc1C)C)I
STK556799
Synonyms: 2-(benzylsulfanyl)-6,6-dimethyl-4-(morpholin-4-yl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Smiles: CC1(C)OCc2c(C1)c1c(s2)nc(nc1N1CCOCC1)SCc1ccccc1
STK556800
Synonyms: (6E)-6-{4-[(4-fluorobenzyl)oxy]-3-methoxybenzylidene}-5-imino-2-[2-oxo-2-(piperidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1cc(ccc1OCc1ccc(cc1)F)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCCC1
STK556803
Synonyms: (6Z)-6-{4-[(3,4-dichlorobenzyl)oxy]-3-methoxybenzylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1cc(ccc1OCc1ccc(c(c1)Cl)Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1
STK556804
Synonyms: 2-methoxy-6-{4-[(2-phenylethyl)amino]quinazolin-2-yl}phenol
Smiles: COc1cccc(c1O)c1nc(NCCc2ccccc2)c2c(n1)cccc2
STK556805
Synonyms: N-(1-ethyl-1H-pyrazolo[3,4-b]quinolin-3-yl)butanamide
Smiles: CCCC(=O)Nc1nn(c2c1cc1ccccc1n2)CC
STK556806
Synonyms: 2-[(E)-{2-[4-(4-methylphenyl)piperazin-1-yl]-4-oxo-1,3-thiazol-5(4H)-ylidene}methyl]phenylbenzenesulfonate
Smiles: Cc1ccc(cc1)N1CCN(CC1)C1=NC(=O)/C(=C\c2ccccc2OS(=O)(=O)c2ccccc2)/S1
STK556808
Synonyms: 3-(4-fluorophenyl)-N-{3-(2-methoxyphenyl)-3-[4-(propan-2-yloxy)phenyl]propyl}-3-phenylpropanamide
Smiles: COc1ccccc1C(c1ccc(cc1)OC(C)C)CCNC(=O)CC(c1ccc(cc1)F)c1ccccc1
STK556810
Synonyms: N~4~-(4-chlorophenyl)-N~2~-(2-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: Clc1ccc(cc1)Nc1nc(nc(c1[N+](=O)[O-])N)Nc1ccccc1F
STK556811
Synonyms: 2-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]-3-(2-chloro-4-nitrophenyl)quinazolin-4(3H)-one
Smiles: Brc1ccc(c(c1)/C=C/c1nc2ccccc2c(=O)n1c1ccc(cc1Cl)[N+](=O)[O-])O
STK556812
Synonyms: 2-{[6-ethyl-6-methyl-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}-1-phenylethanone
Smiles: CCCSc1nc(SCC(=O)c2ccccc2)c2c(n1)sc1c2CC(OC1)(C)CC
STK556814
Synonyms: 2-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-3-(4-bromophenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Smiles: Brc1ccc(cc1)n1c(SCc2nc3c([nH]2)cccc3)nc2c(c1=O)c1CCCCc1s2
STK556816
Synonyms: N-cyclopentyl-2-imino-1-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
Smiles: O=C(c1cc2c(n(c1=N)C)nc1n(c2=O)cccc1)NC1CCCC1
STK556818
Synonyms: 2-{[5-(benzylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-1-(4-bromophenyl)ethanone
Smiles: Brc1ccc(cc1)C(=O)CSc1nnc2n1c(SCc1ccccc1)nc1c2c2CCCCc2s1
STK556819
Synonyms: (8S,8aR,11aS,11bS)-10-(4-chlorophenyl)-8-(furan-2-ylcarbonyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Smiles: Clc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2c2ccccc2C=C1)C(=O)c1ccco1
STK556820
Synonyms: N'-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2-(5-methyl-1H-pyrazol-1-yl)acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)Cn2nccc2C)cc(c1O)Br
STK556821
Synonyms: 6-iodo-3-(4-methylphenyl)-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}quinazolin-4(3H)-one
Smiles: Cc1ccc(cc1)n1c(SCC(=O)N2CCCCC2)nc2c(c1=O)cc(cc2)I
STK556822
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-N'-[(1E,2E)-3-phenylprop-2-en-1-ylidene]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: O=C(c1nnn(c1CSC1=NCCS1)c1nonc1N)N/N=C/C=C/c1ccccc1
STK556823
Synonyms: (6Z)-6-{3-ethoxy-4-[(2-methylbenzyl)oxy]benzylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCOc1cc(ccc1OCc1ccccc1C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1
STK556825
Synonyms: 2-(4-ethylpiperazin-1-yl)-N-(4-methylphenyl)-5-nitropyrimidine-4,6-diamine
Smiles: CCN1CCN(CC1)c1nc(Nc2ccc(cc2)C)c(c(n1)N)[N+](=O)[O-]
STK556826
Synonyms: 2-(benzylsulfanyl)-N-(3-methoxypropyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine
Smiles: COCCCNc1nc(SCc2ccccc2)nc2c1c1CCCCc1s2
STK556829
Synonyms: N-(3-chloro-4-methoxyphenyl)-2-{[4-oxo-3-(prop-2-en-1-yl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccc(c(c2)Cl)OC)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1
STK556830
Synonyms: 3-{[(E)-(3-chlorophenyl)methylidene]amino}-7-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: COc1ccc2c(c1)[nH]c1c2ncn(c1=O)/N=C/c1cccc(c1)Cl
STK556832
Synonyms: N'-[2,2-dimethyl-5-(morpholin-4-yl)-1,4-dihydro-2H-thiopyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]-N,N-diethylethane-1,2-diamine
Smiles: CCN(CCNc1ncnc2c1sc1c2c2CC(C)(C)SCc2c(n1)N1CCOCC1)CC
STK556833
Synonyms: N-(4-acetylphenyl)-2-[3-(3-chlorophenyl)-2,4-dioxo-3,4,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]acetamide
Smiles: Clc1cccc(c1)n1c(=O)c2c3CCCc3sc2n(c1=O)CC(=O)Nc1ccc(cc1)C(=O)C
STK556834
Synonyms: 2-{[3-(4-methylphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
Smiles: O=C(Nc1nccs1)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccc(cc1)C)CCCCC3
STK556835
Synonyms: (5E)-5-{[(2-aminocyclohexyl)amino]methylidene}-1-hexylpyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCCCCCN1C(=O)NC(=O)/C(=C\NC2CCCCC2N)/C1=O
STK556837
Synonyms: (2'R,3'R)-3'-acetyl-2'-(4-methoxyphenyl)-2,2-dimethyl-2',3'-dihydro-10b'H-spiro[1,3-dioxane-5,1'-pyrrolo[2,1-a]phthalazine]-4,6-dione
Smiles: COc1ccc(cc1)[C@H]1[C@H](C(=O)C)N2C(C31C(=O)OC(OC3=O)(C)C)c1ccccc1C=N2
STK556838
Synonyms: 2-{[6,6-dimethyl-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
Smiles: CCCSc1nc(SCC(=O)N)c2c(n1)sc1c2CC(OC1)(C)C
STK556841
Synonyms: 1-(butylsulfanyl)-4-(4-chlorophenyl)-7-methyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: CCCCSc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)Cl)CC(CC3)C
STK556842
Synonyms: 3-(4-ethoxyphenyl)-2-[(4-methoxybenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Smiles: CCOc1ccc(cc1)n1c(SCc2ccc(cc2)OC)nc2c(c1=O)c1CCCCc1s2
STK556845
Synonyms: (6E)-6-{[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: Clc1cccc(c1)n1c(C)cc(c1C)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1
STK556848
Synonyms: 8-[(2-aminoethyl)amino]-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: NCCNc1nc2c(n1CC(COc1ccccc1C)O)c(=O)n(c(=O)n2C)C
STK556850
Synonyms: 2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4-difluorophenyl)acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2F)F)nnc1c1ccc(cc1)C(C)(C)C
STK556851
Synonyms: (6Z)-5-imino-6-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C(N1CCCC1)Cc1nn2c(=NC(=O)/C(=C\c3ccc(o3)c3ccc(cc3)[N+](=O)[O-])/C2=N)s1
STK556852
Synonyms: (5Z)-5-{[5-(2,5-dichlorophenyl)furan-2-yl]methylidene}-2-(4-propoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Smiles: CCCOc1ccc(cc1)c1nn2c(n1)s/c(=C\c1ccc(o1)c1cc(Cl)ccc1Cl)/c2=O
STK556854
Synonyms: 5-benzyl-2-phenyl-3-(pyridin-4-yl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: O=C1C2ON(C(C2C(=O)N1Cc1ccccc1)c1ccncc1)c1ccccc1
STK556855
Synonyms: (6Z)-5-imino-6-{3-methoxy-4-[2-(4-methylphenoxy)ethoxy]benzylidene}-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1cc(ccc1OCCOc1ccc(cc1)C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1
STK556857
Synonyms: 2-(benzylsulfanyl)-3-(4-chlorophenyl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Smiles: CN1CCc2c(C1)sc1c2c(=O)n(c(n1)SCc1ccccc1)c1ccc(cc1)Cl
STK556858
Synonyms: 5-(4-bromophenyl)-3-(2-chloroquinolin-3-yl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Brc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1cc2ccccc2nc1Cl
STK556859
Synonyms: (5Z)-5-{[3-(3-butoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-(2-methoxyethyl)-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCCCOc1cccc(c1)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CCOC)c1ccccc1
STK556860
Synonyms: 10-ethyl-10-methyl-3-[(3-methylbutyl)sulfanyl]-5-(propylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCCC(C)C)nn2)CC(OC3)(C)CC
STK556862
Synonyms: (6Z)-5-imino-6-[4-(2-phenoxyethoxy)benzylidene]-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(cc1)OCCOc1ccccc1)c1cccnc1
STK556863
Synonyms: 2-{[3-(3-methylphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Smiles: O=C(Nc1cccc(c1)C(F)(F)F)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)C)CCCCC3
STK556864
Synonyms: 2-methyl-7-{[3-(4-methylpiperazin-1-yl)propyl]amino}-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione
Smiles: CN1CCN(CC1)CCCNc1cc2oc3ccc(cc3[nH]c2c2c1c(=O)c1ccccc1c2=O)C
STK556865
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-N'-[(E)-(2-methoxyphenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: COc1ccccc1/C=N/NC(=O)c1nnn(c1CSC1=NCCS1)c1nonc1N
STK556866
Synonyms: (6Z)-6-{3-chloro-4-[2-(2-methylphenoxy)ethoxy]benzylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(c(c1)Cl)OCCOc1ccccc1C)c1cccnc1
STK556867
Synonyms: (6E)-5-imino-6-({1-[2-(2-methylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C(N1CCCC1)Cc1nn2c(=NC(=O)/C(=C/c3cn(c4c3cccc4)CCOc3ccccc3C)/C2=N)s1
STK556868
Synonyms: 6-(4-tert-butylphenyl)-3-(phenoxymethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: CC(c1ccc(cc1)c1nn2c(s1)nnc2COc1ccccc1)(C)C
STK556870
Synonyms: 2-[(3-methylphenoxy)methyl]-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclopentane]
Smiles: Cc1cccc(c1)OCc1nc2n(n1)cnc1c2C2(CCCC2)Cc2c1cccc2
STK556871
Synonyms: N~2~-[3-(dimethylamino)propyl]-5-nitro-6-(pyrrolidin-1-yl)pyrimidine-2,4-diamine
Smiles: CN(CCCNc1nc(N)c(c(n1)N1CCCC1)[N+](=O)[O-])C
STK556872
Synonyms: 7-(4-chlorobenzyl)-1,3-dimethyl-8-[(4-nitrobenzyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1ccc(cc1)Cn1c(SCc2ccc(cc2)[N+](=O)[O-])nc2c1c(=O)n(c(=O)n2C)C
STK556875
Synonyms: 5-(2,4-dimethylphenyl)-2-phenyl-3-(thiophen-2-yl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Cc1ccc(c(c1)C)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1cccs1
STK556876
Synonyms: (2Z)-2-cyano-2-[3-(3-methoxyphenyl)-5-(3-methylbenzyl)-4-oxo-1,3-thiazolidin-2-ylidene]ethanamide
Smiles: N#C/C(=C\1/SC(C(=O)N1c1cccc(c1)OC)Cc1cccc(c1)C)/C(=O)N
STK556881
Synonyms: 3-ethoxy-2-(ethylsulfanyl)quinazolin-4(3H)-one
Smiles: CCOn1c(SCC)nc2c(c1=O)cccc2
STK556883
Synonyms: 7-{[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]amino}-2-methyl-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione
Smiles: Cc1ccc2c(c1)[nH]c1c(o2)cc(c2c1c(=O)c1c(c2=O)cccc1)NCCCN1CCc2c(C1)cccc2
STK556884
Synonyms: 3-heptyl-8,8-dimethyl-2-propyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Smiles: CCCc1nc2c3cc4COC(Cc4nc3sc2c(=O)n1CCCCCCC)(C)C
STK556885
Synonyms: N-(5-chloro-2-methylphenyl)-2-[(4-oxo-3-propyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]acetamide
Smiles: CCCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1
STK556886
Synonyms: 8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-7-(3-oxobutan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCN1CCN(CC1)Cc1nc2c(n1C(C(=O)C)C)c(=O)n(c(=O)n2C)C
STK556887
Synonyms: 2-(4-ethylpiperazin-1-yl)-5-nitro-6-(piperidin-1-yl)pyrimidin-4-amine
Smiles: CCN1CCN(CC1)c1nc(N)c(c(n1)N1CCCCC1)[N+](=O)[O-]
STK556888
Synonyms: 5-(4-bromophenyl)-3-(3-chlorophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Brc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1cccc(c1)Cl
STK556889
Synonyms: N-(6-methyl-1-propyl-1H-pyrazolo[3,4-b]quinolin-3-yl)butanamide
Smiles: CCCn1nc(c2c1nc1ccc(cc1c2)C)NC(=O)CCC
STK556892
Synonyms: 6-(4-ethylpiperazin-1-yl)-N~2~-(4-methoxyphenyl)-5-nitropyrimidine-2,4-diamine
Smiles: CCN1CCN(CC1)c1nc(Nc2ccc(cc2)OC)nc(c1[N+](=O)[O-])N
STK556893
Synonyms: 5-(4-chlorophenyl)-3-(2-methylpropyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Clc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)CC(C)C
STK556896
Synonyms: 1-[4-(2,5-dimethylphenyl)-3'-(3-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl]ethanone
Smiles: Cc1ccc(c(c1)C1=NN(c2ccccc2)C2(c3c1cccc3)SC(=NN2c1cccc(c1)[N+](=O)[O-])C(=O)C)C
STK556898
Synonyms: N-(4-chlorophenyl)-2-{[10-ethyl-10-methyl-5-(propylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamide
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCC(=O)Nc1ccc(cc1)Cl)nn2)CC(OC3)(C)CC
STK556899
Synonyms: 7-methoxy-4-(3-methylpiperidin-1-yl)-5H-pyrimido[5,4-b]indole
Smiles: COc1ccc2c(c1)[nH]c1c2ncnc1N1CCCC(C1)C
STK556901
Synonyms: N-carbamimidoyl-4-({(E)-2-cyano-2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]ethenyl}amino)benzenesulfonamide
Smiles: CCOc1ccc(cc1)c1csc(n1)/C(=C/Nc1ccc(cc1)S(=O)(=O)NC(=N)N)/C#N
STK556902
Synonyms: 6-(4-bromophenyl)-3-(4-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: Cc1ccc(cc1)c1nnc2n1nc(s2)c1ccc(cc1)Br
STK556903
Synonyms: 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-ethyl-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Smiles: CCn1c(SCC(=O)c2ccc(cc2)Cl)nc2c(c1=O)c1CCN(Cc1s2)C
STK556904
Synonyms: 6-(biphenyl-4-yl)-3-(3-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: COc1cccc(c1)c1nnc2n1N=C(CS2)c1ccc(cc1)c1ccccc1
STK556905
Synonyms: (6Z)-6-{3-chloro-4-[(2,6-dichlorobenzyl)oxy]benzylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(c(c1)Cl)OCc1c(Cl)cccc1Cl)c1cccnc1
STK556906
Synonyms: (6Z)-6-{3-bromo-4-[(3-methylbenzyl)oxy]benzylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: Cc1cccc(c1)COc1ccc(cc1Br)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1
STK556907
Synonyms: (6Z)-5-imino-6-[4-(naphthalen-1-ylmethoxy)benzylidene]-2-[2-oxo-2-(piperidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C(N1CCCCC1)Cc1nn2c(=NC(=O)/C(=C\c3ccc(cc3)OCc3cccc4c3cccc4)/C2=N)s1
STK556908
Synonyms: N-(4-chlorophenyl)-2-[(4-oxo-3-phenyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]acetamide
Smiles: O=C(Nc1ccc(cc1)Cl)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1)CCCCC3
STK556910
Synonyms: N~2~-cyclohexyl-5-nitro-6-(piperidin-1-yl)pyrimidine-2,4-diamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCCCC1)NC1CCCCC1
STK556911
Synonyms: N-[4-(benzyloxy)phenyl]-3-[4-(cyanomethyl)piperazin-1-yl]propanamide
Smiles: N#CCN1CCN(CC1)CCC(=O)Nc1ccc(cc1)OCc1ccccc1
STK556913
Synonyms: 7-(3,4-dimethoxyphenyl)-8-(2-methoxyphenyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: COc1cc(ccc1OC)c1cn2c(n1c1ccccc1OC)nc1c2c(=O)n(C)c(=O)n1C
STK556915
Synonyms: 3-methyl-N-(1-propyl-1H-pyrazolo[3,4-b]quinolin-3-yl)butanamide
Smiles: CCCn1nc(c2c1nc1ccccc1c2)NC(=O)CC(C)C
STK556916
Synonyms: 2-[(3-butyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]-N-(5-chloro-2-methylphenyl)acetamide
Smiles: CCCCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1
STK556918
Synonyms: 6-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: COc1ccc(cc1)c1nnc2n1N=C(CS2)c1ccc2c(c1)OCO2
STK556920
Synonyms: N-(4-acetylphenyl)-2-{[3-(4-chlorophenyl)-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)C(=O)C)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CCN(C3)C
STK556921
Synonyms: 5-[(2,4-dichlorobenzyl)sulfanyl]-7,7-dimethyl-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidine
Smiles: Clc1ccc(c(c1)Cl)CSc1nc2nnnn2c2c1c1CC(C)(C)OCc1s2
STK556922
Synonyms: 3-(2,4-dichlorophenyl)-7-(4-fluorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
Smiles: Fc1ccc(cc1)N1C(=O)CC2(C1=O)ON=C(C2)c1ccc(cc1Cl)Cl
STK556923
Synonyms: 8-amino-3-benzylbenzo[g]pteridine-2,4(1H,3H)-dione
Smiles: Nc1ccc2c(c1)nc1c(n2)c(=O)n(c(=O)[nH]1)Cc1ccccc1
STK556924
Synonyms: N-(5-chloro-2-methylphenyl)-2-{[3-(2-methylpropyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: CC(Cn1c(SCC(=O)Nc2cc(Cl)ccc2C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1)C
STK556926
Synonyms: ethylN-({[4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)glycinate
Smiles: CCOC(=O)CNC(=O)CSc1nnc(n1c1ccc(cc1)Cl)c1ccncc1
STK556927
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-fluorophenoxy)methyl]-N'-[(E)-pyridin-4-ylmethylidene]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: Fc1ccc(cc1)OCc1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccncc1
STK556928
Synonyms: (4aR,4bS,7aR,8S)-8-[(3,4-dimethoxyphenyl)carbonyl]-6-(naphthalen-1-yl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: COc1cc(ccc1OC)C(=O)[C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1cccc2c1cccc2
STK556929
Synonyms: 3-(3-ethoxyphenyl)-6-(4-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: CCOc1cccc(c1)c1nnc2n1N=C(CS2)c1ccc(cc1)F
STK556930
Synonyms: 3-(4-chlorophenyl)-1-(2-oxo-2-phenylethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Smiles: Clc1ccc(cc1)n1c(=O)n(CC(=O)c2ccccc2)c2c(c1=O)c1CCCCc1s2
STK556931
Synonyms: N~4~-(4-ethoxyphenyl)-N~2~-(2-methoxyethyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: COCCNc1nc(Nc2ccc(cc2)OCC)c(c(n1)N)[N+](=O)[O-]
STK556932
Synonyms: 2-(4-chlorophenyl)-N'-{(E)-[4-(methylsulfanyl)phenyl]methylidene}quinoline-4-carbohydrazide
Smiles: CSc1ccc(cc1)/C=N/NC(=O)c1cc(nc2c1cccc2)c1ccc(cc1)Cl
STK556933
Synonyms: N-[bis(4-chlorophenyl)methyl]-2,2,2-trifluoroacetamide
Smiles: O=C(C(F)(F)F)NC(c1ccc(cc1)Cl)c1ccc(cc1)Cl
STK556934
Synonyms: 2-{[3-(4-ethoxyphenyl)-6,6-dimethyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)N)nc2c(c1=O)c1CC(C)(C)OCc1s2
STK556935
Synonyms: 2-{4-[cyclohexyl(ethyl)amino]quinazolin-2-yl}phenol
Smiles: CCN(c1nc(nc2c1cccc2)c1ccccc1O)C1CCCCC1
STK556936
Synonyms: 2-[(4-ethyl-5-oxo-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]-N-(naphthalen-1-yl)acetamide
Smiles: CCn1c2nnc(n2c2c(c1=O)c1CCCCc1s2)SCC(=O)Nc1cccc2c1cccc2
STK556937
Synonyms: N-(3-chloro-2-methylphenyl)-2-{[3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2cccc(c2C)Cl)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1
STK556938
Synonyms: 2-{[3-(4-ethoxyphenyl)-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(2-phenylethyl)acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)NCCc2ccccc2)nc2c(c1=O)c1CCN(Cc1s2)C
STK556939
Synonyms: 3-(4-benzylpiperazin-1-yl)-N-(3-bromophenyl)propanamide
Smiles: O=C(Nc1cccc(c1)Br)CCN1CCN(CC1)Cc1ccccc1
STK556940
Synonyms: 5-(2,6-dichlorophenyl)-3-(2-methoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: COc1ccccc1C1N(OC2C1C(=O)N(C2=O)c1c(Cl)cccc1Cl)c1ccccc1
STK556941
Synonyms: 2-({[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole
Smiles: Cc1ccc(cc1)n1c(SCc2nc3c([nH]2)cccc3)nnc1c1ccncc1
STK556943
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2,6-dichlorophenyl)methylidene]-5-[(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: O=C(c1nnn(c1CSC1=NCCS1)c1nonc1N)N/N=C/c1c(Cl)cccc1Cl
STK556944
Synonyms: 2-(4-ethylpiperazin-1-yl)-5-nitro-6-(pyrrolidin-1-yl)pyrimidin-4-amine
Smiles: CCN1CCN(CC1)c1nc(N)c(c(n1)N1CCCC1)[N+](=O)[O-]
STK556948
Synonyms: (2Z)-2-cyano-2-[(5E)-5-(2,3-dimethoxybenzylidene)-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-(3-methylphenyl)ethanamide
Smiles: N#C/C(=c\1/s/c(=C/c2cccc(c2OC)OC)/c(=O)n1c1ccc(cc1)C)/C(=O)Nc1cccc(c1)C
STK556950
Synonyms: 6-iodo-3-(4-methoxyphenyl)-2-(pentylsulfanyl)quinazolin-4(3H)-one
Smiles: CCCCCSc1nc2ccc(cc2c(=O)n1c1ccc(cc1)OC)I
STK556951
Synonyms: 4-{[(6aS,6bR,9aS,10R)-7,9-dioxo-8-(2-phenylethyl)-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinolin-10-yl]carbonyl}phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C(=O)[C@H]1[C@H]2C(=O)N(C(=O)[C@H]2[C@H]2N1c1ccccc1C=C2)CCc1ccccc1
STK556952
Synonyms: N-(3-methoxypropyl)-2,2-dimethyl-5-(pyrrolidin-1-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-amine
Smiles: COCCCNc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCCC1
STK556953
Synonyms: 6-cyclohexyl-3-(pyridin-4-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: C1CCC(CC1)c1nn2c(s1)nnc2c1ccncc1
STK556954
Synonyms: 2-amino-N-butyl-1-(prop-2-en-1-yl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: C=CCn1c(N)c(c2c1nc1ccccc1n2)C(=O)NCCCC
STK556956
Synonyms: 3-[6-(4-tert-butylphenoxy)hexyl]-2-(4-chlorophenyl)quinazolin-4(3H)-one
Smiles: Clc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCCCOc1ccc(cc1)C(C)(C)C
STK556958
Synonyms: N'-[(E)-(2-chlorophenyl)methylidene]-2-(3,5-dimethyl-1H-pyrazol-1-yl)acetohydrazide
Smiles: O=C(Cn1nc(cc1C)C)N/N=C/c1ccccc1Cl
STK556960
Synonyms: 2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Cl)N/N=C/c1cn[nH]c1c1ccccc1
STK556961
Synonyms: 5-(4-bromophenyl)-3-(2-chlorophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Brc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccccc1Cl
STK556964
Synonyms: 4-[(4-chlorobenzyl)sulfanyl]-6,6-dimethyl-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Smiles: CCCSc1nc(SCc2ccc(cc2)Cl)c2c(n1)sc1c2CC(OC1)(C)C
STK556965
Synonyms: N-(4-chloro-2-nitrophenyl)-7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide
Smiles: O=C1CC(C2(O1)CCOC(C2)(C)C)C(=O)Nc1ccc(cc1[N+](=O)[O-])Cl
STK556967
Synonyms: N-benzyl-2-{[3-(4-ethoxyphenyl)-6,6-dimethyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)NCc2ccccc2)nc2c(c1=O)c1CC(C)(C)OCc1s2
STK556968
Synonyms: (8S,8aR,11aS,11bS)-10-cyclohexyl-8-(phenylcarbonyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Smiles: O=C([C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1C=Cc1c2cccc1)C1CCCCC1)c1ccccc1
STK556969
Synonyms: N-[5-(N,N-diethylglycyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl]-3,4,5-trimethoxybenzamide
Smiles: CCN(CC(=O)N1c2cc(ccc2CCc2c1cccc2)NC(=O)c1cc(OC)c(c(c1)OC)OC)CC
STK556970
Synonyms: (4aS,4bR,7aS,8R)-8-(2,2-dimethylpropanoyl)-6-(4-nitrophenyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: O=C1N(c2ccc(cc2)[N+](=O)[O-])C(=O)[C@H]2[C@@H]1[C@@H]1C=CC=NN1[C@H]2C(=O)C(C)(C)C
STK556972
Synonyms: 3-(4-ethoxyphenyl)-6-(3-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: CCOc1ccc(cc1)c1nnc2n1nc(s2)c1cccc(c1)C
STK556973
Synonyms: 4-[(2,4-dichlorobenzyl)sulfanyl]-2,8,8-trimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: Clc1ccc(c(c1)Cl)CSc1nc(C)nc2c1sc1c2cc2c(n1)CC(OC2)(C)C
STK556975
Synonyms: 2-oxo-N-(pyridin-3-ylmethyl)-2H-pyran-5-carboxamide
Smiles: O=c1ccc(co1)C(=O)NCc1cccnc1
STK556976
Synonyms: (6aS,6bR,9aS,10R)-8-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-10-carboxamide
Smiles: COc1ccc(c(c1)NC(=O)[C@@H]1N2[C@H]([C@H]3[C@@H]1C(=O)N(C3=O)c1ccc(cc1)Cl)C=Cc1c2cccc1)OC
STK556978
Synonyms: 3-[(3-chlorobenzyl)oxy]-2-[(3-chlorobenzyl)sulfanyl]quinazolin-4(3H)-one
Smiles: Clc1cccc(c1)CSc1nc2ccccc2c(=O)n1OCc1cccc(c1)Cl
STK556979
Synonyms: 3-(3-chlorophenyl)-6-cyclohexyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: Clc1cccc(c1)c1nnc2n1nc(s2)C1CCCCC1
STK556981
Synonyms: 3-(2,5-dimethoxyphenyl)-2-phenyl-5-(4-propoxyphenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: CCCOc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1cc(OC)ccc1OC
STK556982
Synonyms: N~1~-{(E)-[3-methoxy-4-(propan-2-yloxy)phenyl]methylidene}-1H-tetrazole-1,5-diamine
Smiles: COc1cc(ccc1OC(C)C)/C=N/n1nnnc1N
STK556983
Synonyms: (6Z)-6-{3-chloro-5-ethoxy-4-[(4-methylbenzyl)oxy]benzylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCOc1cc(cc(c1OCc1ccc(cc1)C)Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1
STK556985
Synonyms: 3-(2,5-dimethoxyphenyl)-5-(3-methylphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: COc1ccc(c(c1)C1N(OC2C1C(=O)N(C2=O)c1cccc(c1)C)c1ccccc1)OC
STK556986
Synonyms: 2-[(4-amino-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)C)CSc1nc(N)c2c(n1)nc1c(c2)CCCC1
STK556988
Synonyms: 5-(2,6-dimethylphenyl)-2-phenyl-3-propyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: CCCC1N(OC2C1C(=O)N(C2=O)c1c(C)cccc1C)c1ccccc1
STK556990
Synonyms: 10,10-dimethyl-3-[(2-phenylethyl)sulfanyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-5-amine
Smiles: Nc1nc2sc3c(c2c2n1c(SCCc1ccccc1)nn2)CC(OC3)(C)C
STK556991
Synonyms: 4-[3-(2-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]benzene-1,2-diol
Smiles: Oc1cc(ccc1O)C1=Nn2c(SC1)nnc2c1ccccc1Cl
STK556992
Synonyms: methyl(8S,8aR,11aS,11bS)-10-(2-fluorophenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxylate
Smiles: COC(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccccc1F)cccc3
STK556993
Synonyms: (6aR,6bS,9aR,10S)-8-[4-chloro-3-(trifluoromethyl)phenyl]-10-(phenylcarbonyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: O=C1N(c2ccc(c(c2)C(F)(F)F)Cl)C(=O)[C@@H]2[C@H]1[C@H]1C=Cc3c(N1[C@@H]2C(=O)c1ccccc1)cccc3
STK556995
Synonyms: N-{[4-(benzyloxy)phenyl](cyano)methyl}-2-chloro-N-(4-methoxyphenyl)acetamide
Smiles: N#CC(N(c1ccc(cc1)OC)C(=O)CCl)c1ccc(cc1)OCc1ccccc1
STK556996
Synonyms: 3-(3-chlorophenyl)-6-(naphthalen-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: Clc1cccc(c1)c1nnc2n1N=C(CS2)c1ccc2c(c1)cccc2
STK556998
Synonyms: 2-methyl-11-{[(E)-(3-methylphenyl)methylidene]amino}-3-(2-phenylethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: Cc1cccc(c1)/C=N/n1c2nc(C)n(c(=O)c2c2c1nc1ccccc1n2)CCc1ccccc1
STK556999
Synonyms: 3-[6-(2,3-dimethylphenoxy)hexyl]-2-(4-methoxyphenyl)quinazolin-4(3H)-one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCCCOc1cccc(c1C)C
STK557000
Synonyms: 8-[(2E)-2-(2-chloro-6-fluorobenzylidene)hydrazinyl]-1,3-dimethyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cc1ccc(cc1)Cn1c(N/N=C/c2c(F)cccc2Cl)nc2c1c(=O)n(c(=O)n2C)C
STK557001
Synonyms: 7-(4-chlorobenzyl)-8-[(4-chlorobenzyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1ccc(cc1)CSc1nc2c(n1Cc1ccc(cc1)Cl)c(=O)n(c(=O)n2C)C
STK557002
Synonyms: N-(2,5-dimethoxyphenyl)-2-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidine-4,6-diamine
Smiles: COc1ccc(cc1Nc1nc(nc(c1[N+](=O)[O-])N)N1CC(C)CC(C1)C)OC
STK557004
Synonyms: (6Z)-6-{3-chloro-4-[2-(2-chlorophenoxy)ethoxy]benzylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(c(c1)Cl)OCCOc1ccccc1Cl)c1cccnc1
STK557005
Synonyms: 10-ethyl-10-methyl-5-(methylsulfanyl)-3-[(4-nitrobenzyl)sulfanyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CCC1(C)OCc2c(C1)c1c(s2)nc(n2c1nnc2SCc1ccc(cc1)[N+](=O)[O-])SC
STK557006
Synonyms: methyl{[4-(4-chlorophenyl)-7-methyl-5-oxo-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetate
Smiles: COC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)Cl)CC(CC3)C
STK557007
Synonyms: 4-{[(4aS,4bR,7aS,8R)-6-(2-methyl-5-nitrophenyl)-5,7-dioxo-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazin-8-yl]carbonyl}phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C(=O)[C@@H]1N2N=CC=C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1cc(ccc1C)[N+](=O)[O-]
STK557008
Synonyms: N-(4-chlorophenyl)-2-{[3-(4-methylphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)Cl)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccc(cc1)C)CCCCC3
STK557009
Synonyms: 2-{[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-phenoxyphenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccc(cc1)Br)N/N=C/c1cccc(c1)Oc1ccccc1
STK557010
Synonyms: (6aR,6bS,9aR,10S)-10-(furan-2-ylcarbonyl)-8-(naphthalen-1-yl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: O=C([C@H]1N2c3ccccc3C=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1cccc2c1cccc2)c1ccco1
STK557011
Synonyms: 2-amino-1-[2-(2-fluorophenyl)ethyl]-N-pentyl-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: CCCCCNC(=O)c1c(N)n(c2c1nc1ccccc1n2)CCc1ccccc1F
STK557012
Synonyms: ethyl3-{[2,2-dimethyl-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]sulfanyl}-2-oxopropanoate
Smiles: CCOC(=O)C(=O)CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1
STK557013
Synonyms: 2-(3-butoxyphenyl)-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclopentane]
Smiles: CCCCOc1cccc(c1)c1nn2c(n1)c1c(nc2)c2ccccc2CC21CCCC2
STK557014
Synonyms: 2-[(5-amino-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1nnc2n1c(N)nc1c2c2CC(C)(C)OCc2s1
STK557015
Synonyms: (4aS,4bR,7aS,8R)-8-(2,2-dimethylpropanoyl)-6-(naphthalen-2-yl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: O=C1N(c2ccc3c(c2)cccc3)C(=O)[C@H]2[C@@H]1[C@@H]1C=CC=NN1[C@H]2C(=O)C(C)(C)C
STK557016
Synonyms: 5-(4-bromophenyl)-3-(4-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Brc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccc(cc1)[N+](=O)[O-]
STK557017
Synonyms: (2Z)-2-(1H-benzimidazol-2-yl)-3-(3-{3-[(4-chlorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)prop-2-enenitrile
Smiles: N#C/C(=C/c1cn(nc1c1cccc(c1)OCc1ccc(cc1)Cl)c1ccccc1)/c1nc2c([nH]1)cccc2
STK557018
Synonyms: N-(1-butyl-1H-pyrazolo[3,4-b]quinolin-3-yl)-2-methylpropanamide
Smiles: CCCCn1nc(c2c1nc1ccccc1c2)NC(=O)C(C)C
STK557019
Synonyms: 6-[(5Z)-5-{[3-(3-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoicacid
Smiles: CCOc1cccc(c1)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CCCCCC(=O)O)c1ccccc1
STK557020
Synonyms: 4-benzyl-6,6-diethyl-1-(propylsulfanyl)-6,7-dihydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Smiles: CCCSc1nnc2n1c1c3ccccc3CC(c1c(=O)n2Cc1ccccc1)(CC)CC
STK557022
Synonyms: 7-(2-cyclohexylethyl)-1,3-dimethyl-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Smiles: O=c1n(C)c2NC(=NC(c2c(=O)n1C)(C(F)(F)F)C(F)(F)F)CCC1CCCCC1
STK557026
Synonyms: 2-[(7,7-dimethyl-2-phenyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)sulfanyl]-1-(morpholin-4-yl)propan-1-one
Smiles: O=C(C(Sc1nc(nc2c1COC(C2)(C)C)c1ccccc1)C)N1CCOCC1
STK557027
Synonyms: 2-{[5-(3-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-methoxy-4-propoxyphenyl)methylidene]acetohydrazide
Smiles: CCCOc1ccc(cc1OC)/C=N/NC(=O)CSc1nnc(n1c1ccccc1)c1cccc(c1)Br
STK557028
Synonyms: 2-{[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E)-1-(4-methylphenyl)ethylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccc(cc1)Br)N/N=C(/c1ccc(cc1)C)\C
STK557029
Synonyms: (8S,8aR,11aS,11bS)-8-(2,2-dimethylpropanoyl)-10-(2-methyl-4-nitrophenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione
Smiles: Cc1cc(ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2c2ccccc2C=N1)C(=O)C(C)(C)C)[N+](=O)[O-]
STK557030
Synonyms: 4-benzyl-6-ethyl-6-methyl-1-sulfanyl-6,7-dihydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Smiles: CCC1(C)Cc2ccccc2c2c1c(=O)n(c1n2c(S)nn1)Cc1ccccc1
STK557031
Synonyms: 7-{[3-(3,3-dimethylpiperidin-1-yl)propyl]amino}-2-methyl-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione
Smiles: Cc1ccc2c(c1)[nH]c1c(o2)cc(c2c1c(=O)c1c(c2=O)cccc1)NCCCN1CCCC(C1)(C)C
STK557032
Synonyms: N~4~-(2-fluorophenyl)-N~2~-methyl-5-nitro-N~2~-phenylpyrimidine-2,4,6-triamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1Nc1ccccc1F)N(c1ccccc1)C
STK557033
Synonyms: 7-(4-chlorobenzyl)-1,3-dimethyl-8-[(4-methylbenzyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cc1ccc(cc1)CSc1nc2c(n1Cc1ccc(cc1)Cl)c(=O)n(c(=O)n2C)C
STK557034
Synonyms: 2-{[5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-phenoxyphenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1c1ccccc1)c1cccc(c1)[N+](=O)[O-])N/N=C/c1cccc(c1)Oc1ccccc1
STK557036
Synonyms: N,N-diethyl-4-[3-(pyridin-3-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline
Smiles: CCN(c1ccc(cc1)c1nn2c(s1)nnc2c1cccnc1)CC
STK557038
Synonyms: 1,3-dimethyl-8-(3-methylphenyl)-7-(4-nitrophenyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: Cc1cccc(c1)n1c(cn2c1nc1c2c(=O)n(c(=O)n1C)C)c1ccc(cc1)[N+](=O)[O-]
STK557039
Synonyms: (2Z)-2-[5-(3-chloro-4-methylbenzyl)-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(3-methylphenyl)ethanamide
Smiles: N#C/C(=C\1/SC(C(=O)N1c1ccccc1C)Cc1ccc(c(c1)Cl)C)/C(=O)Nc1cccc(c1)C
STK557040
Synonyms: (6Z)-6-{[5-(3-chloro-4-methylphenyl)furan-2-yl]methylidene}-5-imino-2-[2-oxo-2-(piperidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C(N1CCCCC1)Cc1nn2c(=NC(=O)/C(=C\c3ccc(o3)c3ccc(c(c3)Cl)C)/C2=N)s1
STK557041
Synonyms: (6E)-6-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: Fc1ccc(cc1)n1c(C)cc(c1C)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1
STK557042
Synonyms: 3-(2-chloroquinolin-3-yl)-2-phenyl-5-(4-propoxyphenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: CCCOc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1cc2ccccc2nc1Cl
STK557043
Synonyms: 2-{[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2,4-dimethoxyphenyl)methylidene]acetohydrazide
Smiles: COc1cc(OC)ccc1/C=N/NC(=O)CSc1nnc(n1C)c1ccc(cc1)Br
STK557044
Synonyms: methyl(8S,8aR,11aS,11bS)-10-(3-nitrophenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxylate
Smiles: COC(=O)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1C=Cc1c2cccc1)c1cccc(c1)[N+](=O)[O-]
STK557045
Synonyms: (5Z)-5-(2-chlorobenzylidene)-2-[4-(4-methylphenyl)piperazin-1-yl]-1,3-thiazol-4(5H)-one
Smiles: Cc1ccc(cc1)N1CCN(CC1)C1=NC(=O)/C(=C/c2ccccc2Cl)/S1
STK557046
Synonyms: 3-methyl-8,10-diphenyl-10,11-dihydro-8H-thiopyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: Cc1nnc2n1cnc1c2c2CC(SC(c2s1)c1ccccc1)c1ccccc1
STK557049
Synonyms: (6E)-6-{[1-(2,5-dimethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1ccc(cc1n1c(C)cc(c1C)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1)OC
STK557050
Synonyms: methyl(8S,8aR,11aS,11bS)-10-(3-chlorophenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxylate
Smiles: COC(=O)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1C=Cc1c2cccc1)c1cccc(c1)Cl
STK557051
Synonyms: N-(3-chlorophenyl)-2-[3-(4-chlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]acetamide
Smiles: Clc1ccc(cc1)n1c(=O)n(CC(=O)Nc2cccc(c2)Cl)c2c(c1=O)c1CCCCc1s2
STK557052
Synonyms: 2-{[3-(2-methylprop-2-en-1-yl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}-N-phenylpropanamide
Smiles: CC(=C)Cn1c(SC(C(=O)Nc2ccccc2)C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1
STK557053
Synonyms: 9-(benzylsulfanyl)-7-chloro-4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: Clc1nc(SCc2ccccc2)nc2c1sc1c2c2CCCc2c(n1)c1ccccc1
STK557055
Synonyms: 2-{[3-(3-chlorophenyl)-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl]sulfanyl}-N-(2,4-dimethoxyphenyl)acetamide
Smiles: COc1ccc(c(c1)OC)NC(=O)CSc1nc2nc3CCCCc3cc2c(=O)n1c1cccc(c1)Cl
STK557056
Synonyms: N~4~-(2-fluorophenyl)-N~2~-[3-(morpholin-4-yl)propyl]-5-nitropyrimidine-2,4,6-triamine
Smiles: Fc1ccccc1Nc1nc(NCCCN2CCOCC2)nc(c1[N+](=O)[O-])N
STK557057
Synonyms: (3S,3'S,3a'S,6a'R)-5'-(3-nitrophenyl)-3'-(propan-2-yl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: CC([C@@H]1N[C@]2([C@H]3[C@@H]1C(=O)N(C3=O)c1cccc(c1)[N+](=O)[O-])C(=O)Nc1c2cccc1)C
STK557058
Synonyms: 3-{5-[(3-bromobenzyl)sulfanyl]-4-(4-bromophenyl)-4H-1,2,4-triazol-3-yl}pyridine
Smiles: Brc1ccc(cc1)n1c(SCc2cccc(c2)Br)nnc1c1cccnc1
STK557059
Synonyms: 5-(naphthalen-1-yl)-3-(4-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: O=C1C2C(c3ccc(cc3)[N+](=O)[O-])N(OC2C(=O)N1c1cccc2c1cccc2)c1ccccc1
STK557062
Synonyms: (8S,8aR,11aS,11bS)-10-[4-chloro-3-(trifluoromethyl)phenyl]-8-(phenylcarbonyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Smiles: O=C([C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1C=Cc1c2cccc1)c1ccc(c(c1)C(F)(F)F)Cl)c1ccccc1
STK557063
Synonyms: N-{2-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}-2-phenylacetamide
Smiles: N#Cc1c(sc2c1CCCCCC2)NC(C(F)(F)F)(C(F)(F)F)NC(=O)Cc1ccccc1
STK557064
Synonyms: 3-[(4-methyl-3-nitrophenyl)sulfonyl]-2-(4-methylphenyl)-1,3-thiazolidine
Smiles: Cc1ccc(cc1)C1SCCN1S(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])C
STK557066
Synonyms: (5Z)-5-{[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene}-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4(5H)-one
Smiles: CN1CCN(CC1)C1=NC(=O)/C(=C/c2ccc(o2)c2ccc(cc2Cl)[N+](=O)[O-])/S1
STK557068
Synonyms: 10-ethyl-10-methyl-3-[(2-methylprop-2-en-1-yl)sulfanyl]-5-(propylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCC(=C)C)nn2)CC(OC3)(C)CC
STK557069
Synonyms: 7-(4-chlorobenzyl)-1,3-dimethyl-8-[(3-phenylpropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1ccc(cc1)Cn1c(SCCCc2ccccc2)nc2c1c(=O)n(c(=O)n2C)C
STK557070
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: COc1cc(/C=N/NC(=O)c2nnn(c2CSC2=NCCS2)c2nonc2N)ccc1O
STK557071
Synonyms: 3-(4-chlorophenyl)-6-methyl-2-(morpholin-4-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Smiles: CC1CCc2c(C1)c1c(s2)nc(n(c1=O)c1ccc(cc1)Cl)N1CCOCC1
STK557072
Synonyms: 6-tert-butyl-3-(3-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: Clc1cccc(c1)c1nnc2n1N=C(CS2)C(C)(C)C
STK557073
Synonyms: 3-(2-chloro-4-nitrophenyl)-6-iodo-2-[(E)-2-(4-methoxyphenyl)ethenyl]quinazolin-4(3H)-one
Smiles: COc1ccc(cc1)/C=C/c1nc2ccc(cc2c(=O)n1c1ccc(cc1Cl)[N+](=O)[O-])I
STK557074
Synonyms: methyl{[5-(benzylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetate
Smiles: COC(=O)CSc1nnc2n1c(SCc1ccccc1)nc1c2c2CCCCc2s1
STK557075
Synonyms: 2-amino-1-[2-(4-fluorophenyl)ethyl]-N-(3-methylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: Fc1ccc(cc1)CCn1c2nc3ccccc3nc2c(c1N)C(=O)Nc1cccc(c1)C
STK557077
Synonyms: (8R,8aS,11aR)-10-(4-acetylphenyl)-8-(2,2-dimethylpropanoyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Smiles: CC(=O)c1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1C2c2ccccc2C=C1)C(=O)C(C)(C)C
STK557078
Synonyms: 2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2cccc3c2cccc3)nnc1c1cccnc1
STK557080
Synonyms: methyl5-bromo-3-{[(2,6-difluorophenyl)carbonyl]amino}-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)c1c(F)cccc1F)cc(cc2)Br
STK557081
Synonyms: 3-phenyl-N-(2-phenylethyl)-3-[4-(propan-2-yloxy)phenyl]propanamide
Smiles: CC(Oc1ccc(cc1)C(c1ccccc1)CC(=O)NCCc1ccccc1)C
STK557082
Synonyms: N-cyclopentyl-2-imino-10-methyl-5-oxo-1-[3-(propan-2-yloxy)propyl]-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
Smiles: CC(OCCCn1c(=N)c(cc2c1nc1c(C)cccn1c2=O)C(=O)NC1CCCC1)C
STK557083
Synonyms: N~4~-cyclohexyl-N~2~-(2-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: [O-][N+](=O)c1c(NC2CCCCC2)nc(nc1N)Nc1ccccc1F
STK557084
Synonyms: N-(3-chlorophenyl)-2-{[3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2cccc(c2)Cl)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1
STK557085
Synonyms: N-cyclohexyl-2-(2,6-dimethylmorpholin-4-yl)-5-nitropyrimidine-4,6-diamine
Smiles: CC1OC(C)CN(C1)c1nc(NC2CCCCC2)c(c(n1)N)[N+](=O)[O-]
STK557086
Synonyms: 2-methyl-7-{[3-(4-methylpiperidin-1-yl)propyl]amino}-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione
Smiles: CC1CCN(CC1)CCCNc1cc2oc3ccc(cc3[nH]c2c2c1c(=O)c1ccccc1c2=O)C
STK557087
Synonyms: 2-(benzylsulfanyl)-N-(2-methoxyethyl)-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-amine
Smiles: COCCNc1nc(SCc2ccccc2)nc2c1c1CCCc1s2
STK557088
Synonyms: 5-(naphthalen-1-yl)-2-phenyl-3-(pyridin-3-yl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: O=C1C2ON(C(C2C(=O)N1c1cccc2c1cccc2)c1cccnc1)c1ccccc1
STK557090
Synonyms: 2-[(2-chlorobenzyl)sulfanyl]-3-(2-methylpropyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: CC(Cn1c(SCc2ccccc2Cl)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1)C
STK557091
Synonyms: 2-(benzylamino)-4-(4-methoxyphenyl)-6-oxo-N-phenylcyclohex-1-ene-1-carbothioamide
Smiles: COc1ccc(cc1)C1CC(=C(C(=O)C1)C(=S)Nc1ccccc1)NCc1ccccc1
STK557092
Synonyms: dicyclohexyl[hydroxy(phenyl)methyl]phosphonate
Smiles: OC(P(=O)(OC1CCCCC1)OC1CCCCC1)c1ccccc1
STK557093
Synonyms: (6aR,6bS,9aR,10S)-10-(furan-2-ylcarbonyl)-8-(3-nitrophenyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: O=C1N(c2cccc(c2)[N+](=O)[O-])C(=O)[C@@H]2[C@H]1[C@H]1C=Cc3c(N1[C@@H]2C(=O)c1ccco1)cccc3