COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION
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Total number of items: 1633432
Total number of pages: 1634 ( 1000 items on each page )
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STK571787
Synonyms: (5E)-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-2-thioxo-1,3-thiazolidin-4-one
Smiles: COc1ccc(cc1OC)CCN1C(=S)S/C(=C/c2ccc3c(c2)CC(O3)C)/C1=O
STK571788
Synonyms: N-ethyl-N-[(2-hydroxyquinolin-4-yl)methyl]butanamide
Smiles: CCCC(=O)N(Cc1cc(O)nc2c1cccc2)CC
STK571793
Synonyms: 2-({4-amino-5-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,5-dimethylphenyl)acetamide
Smiles: O=C(Nc1cc(C)ccc1C)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)Cl
STK847696
Synonyms: 2-{[4-(4-methylphenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}phthalazin-1(2H)-one
Smiles: Cc1ccc(cc1)n1c(=S)[nH]nc1Cn1ncc2c(c1=O)cccc2
STK571799
Synonyms: 4-{[(4Z)-2-(3-methylphenyl)quinazolin-4(3H)-ylidene]amino}benzoicacid
Smiles: Cc1cccc(c1)c1nc2ccccc2/c(=N/c2ccc(cc2)C(=O)O)/[nH]1
STK571800
Synonyms: 2-hydroxy-5-{[(E)-(3-hydroxy-5-methyl-4H-pyrazol-4-ylidene)methyl]amino}benzoicacid
Smiles: CC1=NN=C(/C/1=C/Nc1ccc(c(c1)C(=O)O)O)O
STK571801
Synonyms: N-[1-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-1-oxopropan-2-yl]benzamide
Smiles: COc1cc2c(cc1OC)CCN(C2C)C(=O)C(NC(=O)c1ccccc1)C
STK571802
Synonyms: 7-benzyl-N-[3-(morpholin-4-yl)propyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
Smiles: O1CCN(CC1)CCCNc1ncnc2c1c1CCN(Cc1s2)Cc1ccccc1
STK571804
Synonyms: (5Z)-2-(2-bromophenyl)-5-(2-chlorobenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Smiles: Clc1ccccc1/C=c/1\sc2n(c1=O)nc(n2)c1ccccc1Br
STK847698
Synonyms: 4-(2-amino-4,10-dihydro[1,3,5]triazino[1,2-a]benzimidazol-4-yl)phenol
Smiles: Oc1ccc(cc1)C1N=C(N)N=c2n1c1ccccc1[nH]2
STK571809
Synonyms: N-[(2Z)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]tetrahydrofuran-2-carboxamide
Smiles: O=C(C1CCCO1)/N=C/1\SC2C(N1c1ccc3c(c1)OCCO3)CS(=O)(=O)C2
STK571811
Synonyms: 1,3-dimethyl-7'-[(Z)-(1-methyl-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene)methyl]-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,3H)-trione
Smiles: SC1=NC(=O)/C(=C/c2ccc3c(c2)CC2(C4N3CCC4)C(=O)N(C)C(=O)N(C2=O)C)/C(=O)N1C
STK571813
Synonyms: 3-(5-fluoro-2-hydroxyphenyl)-4-(4-fluorophenyl)-5-[2-(4-methoxyphenyl)ethyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COc1ccc(cc1)CCN1C(=O)c2c(C1c1ccc(cc1)F)c([nH]n2)c1cc(F)ccc1O
STK571814
Synonyms: N-(3,4-dimethylphenyl)-5-(2-hydroxy-3,5-dimethylphenyl)-1H-pyrazole-3-carboxamide
Smiles: Cc1cc(C)c(c(c1)c1[nH]nc(c1)C(=O)Nc1ccc(c(c1)C)C)O
STK847701
Synonyms: propan-2-ylN-[(1-benzyl-7-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidin-2-yl)carbonyl]glycinate
Smiles: CC(OC(=O)CNC(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cc(cc1)C)C
STK571821
Synonyms: 2-[2-amino-5-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]-5-(benzyloxy)phenol
Smiles: COc1ccccc1c1c(nc(nc1C(F)(F)F)N)c1ccc(cc1O)OCc1ccccc1
STK571823
Synonyms: 2-[(3Z)-3-(7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-ylidene)-2-oxopropyl]-1H-isoindole-1,3(2H)-dione
Smiles: O=C(/C=C/1\NCCc2c1cc1OCOc1c2)CN1C(=O)c2c(C1=O)cccc2
STK571825
Synonyms: 3-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]-N-(3-fluorophenyl)propanamide
Smiles: O=C(Nc1cccc(c1)F)CCN1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1
STK847702
Synonyms: 2-[5-(2-bromophenoxy)pyrimidin-4-yl]-5-[(2-methylprop-2-en-1-yl)oxy]phenol
Smiles: CC(=C)COc1ccc(c(c1)O)c1ncncc1Oc1ccccc1Br
STK571828
Synonyms: 9-methyl-2-(4-methylphenyl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: CN1CCc2c(C1)sc1c2c2nc(nn2cn1)c1ccc(cc1)C
STK571833
Synonyms: 2-({4-amino-5-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3,4-difluorophenyl)acetamide
Smiles: O=C(Nc1ccc(c(c1)F)F)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)F
STK571837
Synonyms: N-benzyl-5-tert-butyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: CC(c1cc(NCc2ccccc2)n2c(n1)c(cn2)c1ccccc1)(C)C
STK571839
Synonyms: cyclopropyl(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2(1H)-yl)methanone
Smiles: COc1cc2c(cc1OC)CCN(C2=C)C(=O)C1CC1
STK571844
Synonyms: 7-chloro-1-(4-fluorophenyl)-2-[2-(4-methoxyphenyl)ethyl]-6-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1ccc(cc1)CCN1C(=O)c2c(C1c1ccc(cc1)F)c(=O)c1c(o2)cc(c(c1)Cl)C
STK847704
Synonyms: 2-methoxyethyl5-{[(2-methoxyphenyl)carbonyl]oxy}-1,2-dimethyl-1H-indole-3-carboxylate
Smiles: COCCOC(=O)c1c2cc(ccc2n(c1C)C)OC(=O)c1ccccc1OC
STK571849
Synonyms: tert-butyl4-({(2S)-1-[(4-methylbenzyl)amino]-1-oxo-3-phenylpropan-2-yl}carbamoyl)piperidine-1-carboxylate
Smiles: O=C([C@H](Cc1ccccc1)NC(=O)C1CCN(CC1)C(=O)OC(C)(C)C)NCc1ccc(cc1)C
STK847705
Synonyms: methyl6-hydroxy-2-methyl-4-[(4-methylphenyl)carbamoyl]-4,5-dihydropyridine-3-carboxylate
Smiles: COC(=O)C1=C(C)N=C(CC1C(=O)Nc1ccc(cc1)C)O
STK571851
Synonyms: N-[5-hydroxy-2-(2-phenylethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-methylbenzamide
Smiles: Oc1cc(NC(=O)c2ccccc2C)n2c(n1)nc(n2)CCc1ccccc1
STK571855
Synonyms: 5-benzyl-2-(phenoxymethyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-ol
Smiles: Oc1cc(Cc2ccccc2)nc2n1nc(c2c1ccccc1)COc1ccccc1
STK847708
Synonyms: 5-tert-butyl-N-[3-(morpholin-4-yl)propyl]-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: CC(c1cc(NCCCN2CCOCC2)n2c(n1)c(cn2)c1ccccc1)(C)C
STK571858
Synonyms: methyl4-[7-bromo-2-(4-methylpyridin-2-yl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate
Smiles: COC(=O)c1ccc(cc1)C1N(c2nccc(c2)C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)Br
STK847709
Synonyms: 8-methyl-2,5-dioxo-1-(1,3-thiazol-2-yl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
Smiles: N#Cc1cc2c(=O)n3cc(C)ccc3nc2n(c1=O)c1nccs1
STK847711
Synonyms: N-(1,1-dioxidotetrahydrothiophen-3-yl)-6,8-dimethyl-4-oxo-N-[4-(propan-2-yl)benzyl]-4H-chromene-2-carboxamide
Smiles: Cc1cc(C)c2c(c1)c(=O)cc(o2)C(=O)N(C1CCS(=O)(=O)C1)Cc1ccc(cc1)C(C)C
STK571864
Synonyms: (4E)-4-{[(3-methoxyphenyl)amino]methylidene}-2-phenylisoquinoline-1,3(2H,4H)-dione
Smiles: COc1cccc(c1)N/C=C\1/C(=O)N(c2ccccc2)C(=O)c2c1cccc2
STK571865
Synonyms: 1-(2-fluorophenyl)-2-(3-hydroxypropyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: OCCCN1C(=O)c2c(C1c1ccccc1F)c(=O)c1c(o2)cccc1
STK571866
Synonyms: 2,8,10-trimethyl-4-{4-[(2-methylnaphthalen-1-yl)methyl]piperazin-1-yl}pyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidine
Smiles: Cc1cc(N2CCN(CC2)Cc2c(C)ccc3c2cccc3)n2c(n1)c1c(C)cc(nc1n2)C
STK571871
Synonyms: 1-(4-chlorophenyl)-6-cyclopentyl-2-hydroxy-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: Clc1ccc(cc1)n1c(O)nc(=O)c2c1NCN(C2)C1CCCC1
STK571873
Synonyms: (3aR,6aS)-5-(3-chloro-2-methylphenyl)-3-(3,4-dimethoxyphenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: COc1cc(ccc1OC)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1cccc(c1C)Cl
STK571874
Synonyms: 10-(propan-2-yl)-8,9-dihydro-7H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: CC(c1nc2sc3c(c2c2c1CCC2)ncn1c3ncn1)C
STK847714
Synonyms: 6-methyl-N-[(2Z)-6-methyl-1,3-benzothiazol-2(3H)-ylidene]-4-oxo-4H-chromene-2-carboxamide
Smiles: Cc1ccc2c(c1)c(=O)cc(o2)C(=O)/N=c\1/[nH]c2c(s1)cc(cc2)C
STK571878
Synonyms: 4-[(2-methoxyethyl)sulfanyl]-8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]furo[3,2-d]pyrimidine
Smiles: COCCSc1ncnc2c1oc1c2cc2c(n1)CC(OC2)(C)C
STK571879
Synonyms: N'-[(1Z)-1-(1-cyclohexyl-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)propyl]benzohydrazide
Smiles: CC/C(=C/1\C(=NC(=O)N(C1=O)C1CCCCC1)O)/NNC(=O)c1ccccc1
STK571880
Synonyms: 9,9-dimethyl-12-(pyridin-3-yl)-2-(pyridin-4-yl)-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
Smiles: O=C1CC(C)(C)CC2=C1C(c1cccnc1)c1c(O2)ncn2c1nc(n2)c1ccncc1
STK571882
Synonyms: 2-{[4-(2-methylpropyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-7-yl]amino}ethanol
Smiles: OCCNc1ncnc2c1oc1c2c2CCCc2c(n1)CC(C)C
STK571883
Synonyms: 2-methoxy-N-[(8-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(2-methylpropyl)acetamide
Smiles: COCC(=O)N(Cc1cc2cccc(c2[nH]c1=O)C)CC(C)C
STK571885
Synonyms: 1-[5-methyl-1-(2-methyl-6-phenoxypyrimidin-4-yl)-1H-pyrazol-4-yl]ethanone
Smiles: Cc1nc(Oc2ccccc2)cc(n1)n1ncc(c1C)C(=O)C
STK571886
Synonyms: 8-[(3-aminopropyl)amino]-6-hydroxy-7-[2-hydroxy-3-(4-methylphenoxy)propyl]-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: NCCCNc1nc2c(n1CC(COc1ccc(cc1)C)O)c(O)nc(=O)n2C
STK571894
Synonyms: N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(2-ethylbutanoyl)pyridine-4-carbohydrazide
Smiles: CCC(C(=O)NN(C1CC(=O)N(C1=O)c1ccccc1)C(=O)c1ccncc1)CC
STK571896
Synonyms: N-[(3,4-dimethoxybenzyl)carbamoyl]-L-phenylalanine
Smiles: COc1cc(CNC(=O)N[C@H](C(=O)O)Cc2ccccc2)ccc1OC
STK847717
Synonyms: 8-(2-methoxyethyl)-1,3,7-trimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: COCCn1c(C)cn2c1nc1c2c(=O)n(c(=O)n1C)C
STK571898
Synonyms: (5E)-5-{[1-(3-bromophenyl)-1H-pyrrol-2-yl]methylidene}-4-hydroxy-1,3-thiazol-2(5H)-one
Smiles: Brc1cccc(c1)n1cccc1/C=C\1/SC(=O)N=C1O
STK571899
Synonyms: (5E)-5-{[5-(2-chlorophenyl)furan-2-yl]methylidene}-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Smiles: N#CC1=C(C)/C(=C\c2ccc(o2)c2ccccc2Cl)/C(=O)N(C1=O)C1CCS(=O)(=O)C1
STK847718
Synonyms: 5-[2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-ylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1ccc(cc1O)C1CC(=C2C(=O)N(C)C(=O)N(C2=O)C)Nc2c(S1)cccc2
STK571907
Synonyms: N,N-dimethyl-N'-(3-phenyl-5-propylpyrazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
Smiles: CCCc1cc(NCCN(C)C)n2c(n1)c(cn2)c1ccccc1
STK847719
Synonyms: 2-(3,4-dihydroisoquinolin-2(1H)-yl)-5,6,7,8-tetrahydroquinazolin-4-ol
Smiles: Oc1nc(nc2c1CCCC2)N1CCc2c(C1)cccc2
STK571912
Synonyms: methylN-[(3,4-dimethylphenyl)carbamoyl]-D-valinate
Smiles: COC(=O)[C@@H](C(C)C)NC(=O)Nc1ccc(c(c1)C)C
STK847720
Synonyms: 7-methyl-N-[(2Z)-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxo-4H-chromene-2-carboxamide
Smiles: Cc1ccc2c(c1)oc(cc2=O)C(=O)/N=c\1/[nH]nc(s1)C
STK571914
Synonyms: [(5S)-5-[(4-acetylphenyl)carbamoyl]-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]aceticacid
Smiles: OC(=O)C[C@]1(ON=C(C1)c1ccc(cc1)F)C(=O)Nc1ccc(cc1)C(=O)C
STK571916
Synonyms: 2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-oxo-2H-chromen-6-yl)acetamide
Smiles: O=C(CN1C(=O)S/C(=C\c2ccccc2)/C1=O)Nc1ccc2c(c1)ccc(=O)o2
STK571917
Synonyms: N-(3-chlorophenyl)-2-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)acetamide
Smiles: Clc1cccc(c1)NC(=O)Cn1c(O)nc2c(c1=O)cccc2
STK571919
Synonyms: 1',3'-dimethyl-15,16-dihydro-2'H,4bH,6H,7H-spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[2,1-a]isoquinoline-5,5'-pyrimidine]-2',4',6',7(1'H,3'H)-tetrone
Smiles: O=C1N(C)C(=O)C2(C(=O)N1C)Cc1c(N3C2c2ccccc2CC3)nc2n(c1=O)cccc2
STK571921
Synonyms: 2-[(4-methoxyphenyl)sulfonyl]-N-[(2Z)-5-propyl-1,3,4-thiadiazol-2(3H)-ylidene]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Smiles: CCCc1n[nH]/c(=N/C(=O)C2Cc3ccccc3CN2S(=O)(=O)c2ccc(cc2)OC)/s1
STK571922
Synonyms: N-methyl-N-(1-methylpiperidin-4-yl)-2,3-diphenylquinoxaline-6-carboxamide
Smiles: CN1CCC(CC1)N(C(=O)c1ccc2c(c1)nc(c(n2)c1ccccc1)c1ccccc1)C
STK571923
Synonyms: 5-[(2-chlorobenzyl)oxy]-2-[4-(4-methoxyphenoxy)-3-methyl-1H-pyrazol-5-yl]phenol
Smiles: COc1ccc(cc1)Oc1c(C)n[nH]c1c1ccc(cc1O)OCc1ccccc1Cl
STK847722
Synonyms: 3-{4-[(5E)-4-oxo-5-({5-[3-(trifluoromethyl)phenyl]furan-2-yl}methylidene)-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl}propanenitrile
Smiles: N#CCCN1CCN(CC1)C1=NC(=O)/C(=C\c2ccc(o2)c2cccc(c2)C(F)(F)F)/S1
STK571924
Synonyms: 9-(3,5-difluorophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: Fc1cc(F)cc(c1)C1C2=C(O)CCCC2=Nc2n1ncn2
STK847723
Synonyms: 2-[5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-5-[(4-fluorobenzyl)oxy]phenol
Smiles: COc1cc(ccc1OC)c1cncnc1c1ccc(cc1O)OCc1ccc(cc1)F
STK571927
Synonyms: (3R)-N-{(2S)-1-[(4-chlorobenzyl)amino]-4-methyl-1-oxopentan-2-yl}-2,2-dimethyl-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
Smiles: Clc1ccc(cc1)CNC(=O)[C@@H](NC(=O)[C@H]1N2C(SC1(C)C)c1c(C2=O)cccc1)CC(C)C
STK571928
Synonyms: 2-methylquinolin-8-yl3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylate
Smiles: Cc1ccc2c(n1)c(ccc2)OC(=O)c1oc2c(c1C)C(=O)CC(C2)(C)C
STK571929
Synonyms: ethyl4-[(6-hydroxy-3-methyl-2-oxo-3,7-dihydro-2H-purin-8-yl)methyl]piperazine-1-carboxylate
Smiles: CCOC(=O)N1CCN(CC1)Cc1[nH]c2c(n1)n(C)c(=O)nc2O
STK571931
Synonyms: 7-(4-methoxyphenyl)-5,6-dimethyl-N-[3-(morpholin-4-yl)propyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Smiles: COc1ccc(cc1)n1c(C)c(c2c1ncnc2NCCCN1CCOCC1)C
STK571936
Synonyms: N-[(2,5-dimethylphenyl)carbamoyl]-L-methionine
Smiles: CSCC[C@@H](C(=O)O)NC(=O)Nc1cc(C)ccc1C
STK571937
Synonyms:
Smiles: CCC([C@@H](C(=O)O)NC(=O)NC1CC1)C
STK571942
Synonyms: 4-{[(2E)-3-(thiophen-2-yl)prop-2-enoyl]amino}benzoicacid
Smiles: O=C(Nc1ccc(cc1)C(=O)O)/C=C/c1cccs1
STK571946
Synonyms: 5-methyl-7-[4-(2-methylprop-2-en-1-yl)piperazin-1-yl]-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
Smiles: CC(=C)CN1CCN(CC1)c1cc(C)nc2n1nc(c2c1ccccc1)C(F)(F)F
STK571947
Synonyms: 2-methyl-N-(3-methylbutyl)-3,5-diphenylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: CC(CCNc1cc(nc2n1nc(c2c1ccccc1)C)c1ccccc1)C
STK571948
Synonyms: 3-[2-(4-methoxyphenyl)ethyl]-10-methyl-2-(propan-2-yl)pyrimido[4,5-b]quinoline-4,5(3H,10H)-dione
Smiles: COc1ccc(cc1)CCn1c(nc2c(c1=O)c(=O)c1c(n2C)cccc1)C(C)C
STK847726
Synonyms: N-(4-chlorophenyl)-7-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4,5,6-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
Smiles: OC1=Nc2c(C(C1)C(=O)Nc1ccc(cc1)Cl)c(=O)n(c(=O)n2C)C
STK571951
Synonyms: N-[4-(propan-2-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]ethane-1,2-diamine
Smiles: NCCNc1ncnc2c1sc1c2c2CCCc2c(n1)C(C)C
STK571952
Synonyms: 2-{[3-cyano-5-hydroxy-4-(2-methylphenyl)-4,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
Smiles: CCOc1ccc(cc1)NC(=O)CSC1=C(C#N)C(C2=C(CCCC2=N1)O)c1ccccc1C
STK571955
Synonyms: 2-[(4-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy]-N-(pyridin-4-ylmethyl)acetamide
Smiles: O=C(NCc1ccncc1)COc1ccc2c(c1C)oc(=O)c1c2CCCC1
STK571956
Synonyms: 2',6'-dihydroxy-6a,7,8,9,10,11-hexahydro-4'H,5H-spiro[azepino[1,2-a]quinoline-6,5'-pyrimidin]-4'-one
Smiles: OC1=NC(=O)C2(C(=N1)O)Cc1ccccc1N1C2CCCCC1
STK847730
Synonyms: N-(2-methylphenyl)-2-(4-oxo-7,8,9,10-tetrahydropyrimido[4',5':4,5]furo[2,3-b]quinolin-3(4H)-yl)acetamide
Smiles: O=C(Cn1cnc2c(c1=O)oc1c2cc2c(n1)CCCC2)Nc1ccccc1C
STK571959
Synonyms: 3-(3-hydroxypropyl)-5-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: OCCCn1cnc2c(c1=O)n(C)c1c2cccc1
STK571961
Synonyms: 3-chloro-4-[(3,5-dimethylphenyl)amino]-1-(naphthalen-1-yl)-1H-pyrrole-2,5-dione
Smiles: Cc1cc(cc(c1)C)NC1=C(Cl)C(=O)N(C1=O)c1cccc2c1cccc2
STK571962
Synonyms: 1-benzyl-4-oxo-N-phenyl-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: O=c1c2cc(n(c2nc2n1cccc2)Cc1ccccc1)C(=O)Nc1ccccc1
STK571964
Synonyms: 7-(4-benzylpiperazin-1-yl)-2-methyl-3-phenyl-5-(propan-2-yl)pyrazolo[1,5-a]pyrimidine
Smiles: CC(c1cc(N2CCN(CC2)Cc2ccccc2)n2c(n1)c(c1ccccc1)c(n2)C)C
STK571967
Synonyms: 8-amino-3-(1,3-benzodioxol-5-ylmethyl)-2',6'-dihydroxy-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-4'-one
Smiles: OC1=NC(=O)C2(C(=N1)O)Cc1cc(N)ccc1N1C2CN(CC1)Cc1ccc2c(c1)OCO2
STK571972
Synonyms: (2Z)-6-[(2-chloro-4-fluorobenzyl)oxy]-2-(pyridin-3-ylmethylidene)-1-benzofuran-3(2H)-one
Smiles: Fc1ccc(c(c1)Cl)COc1ccc2c(c1)O/C(=C\c1cccnc1)/C2=O
STK847732
Synonyms: ethyl6-(butylsulfanyl)-5-cyano-4-(2-ethoxyphenyl)-2-hydroxy-3,4-dihydropyridine-3-carboxylate
Smiles: CCCCSC1=C(C#N)C(C(C(=N1)O)C(=O)OCC)c1ccccc1OCC
STK571973
Synonyms: 2-[(4-benzylpiperazin-1-yl)carbonyl]-6-chloro-4H-chromen-4-one
Smiles: Clc1ccc2c(c1)c(=O)cc(o2)C(=O)N1CCN(CC1)Cc1ccccc1
STK571980
Synonyms: 4-[(4-benzylpiperazin-1-yl)methyl]-5,7-dimethyl-2H-chromen-2-one
Smiles: Cc1cc(C)c2c(c1)oc(=O)cc2CN1CCN(CC1)Cc1ccccc1
STK571984
Synonyms: 2-[(2-methoxyphenoxy)methyl]-9-propyl-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: CCCN1CCc2c(C1)sc1c2c2nc(nn2cn1)COc1ccccc1OC
STK571985
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-benzylpiperidin-1-yl)methyl]-1H-1,2,3-triazole-4-carboxylicacid
Smiles: OC(=O)c1nnn(c1CN1CCC(CC1)Cc1ccccc1)c1nonc1N
STK571991
Synonyms: 4-[(4-chlorophenyl)carbonyl]-2-(2,4-dimethylphenyl)hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione
Smiles: Clc1ccc(cc1)C(=O)C1N2CCCC2C2C1C(=O)N(C2=O)c1ccc(cc1C)C
STK571995
Synonyms: 3-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]-N-(4-methylbenzyl)propanamide
Smiles: O=C(CCN1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1)NCc1ccc(cc1)C
STK571996
Synonyms: 12-(4-methoxyphenyl)-2-(pyridin-4-yl)-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
Smiles: COc1ccc(cc1)C1C2=C(CCCC2=O)Oc2c1c1nc(nn1cn2)c1ccncc1
STK571997
Synonyms: 4-(2-cyclohexylpropan-2-yl)cyclohexanone
Smiles: O=C1CCC(CC1)C(C1CCCCC1)(C)C
STK571999
Synonyms: N-(4-{[5-tert-butyl-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino}phenyl)acetamide
Smiles: CC(=O)Nc1ccc(cc1)Nc1cc(nc2n1ncc2c1ccc(cc1)Cl)C(C)(C)C
STK572000
Synonyms: 6-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]-N-(1-phenylethyl)hexanamide
Smiles: O=C(NC(c1ccccc1)C)CCCCCN1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1
STK572004
Synonyms: 6-butyl-1,3-dimethyl-5-(3-methylphenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Smiles: CCCCn1cc2c(c1c1cccc(c1)C)c(=O)n(c(=O)n2C)C
STK572005
Synonyms: 2-(3,4-dimethoxybenzyl)-12-(furan-2-yl)-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
Smiles: COc1ccc(cc1OC)Cc1nc2n(n1)cnc1c2C(c2ccco2)C2=C(O1)CCCC2=O
STK572008
Synonyms: 3-(3-chlorophenyl)-7-(4-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: Cc1ccc(cc1)n1ncc2c1ncn1c2nnc1c1cccc(c1)Cl
STK847734
Synonyms: 2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylbenzamide
Smiles: CNC(=O)c1ccccc1c1onc(n1)c1ccccc1OC
STK572010
Synonyms: (5Z)-5-({3-[2-methyl-4-(propan-2-yloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-(1-phenylethyl)-2-thioxo-1,3-thiazolidin-4-one
Smiles: CC(Oc1ccc(c(c1)C)c1nn(cc1/C=C/1\SC(=S)N(C1=O)C(c1ccccc1)C)c1ccccc1)C
STK572011
Synonyms: 4-[(4-fluorophenyl)carbonyl]-2-phenylhexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione
Smiles: Fc1ccc(cc1)C(=O)C1N2CCCC2C2C1C(=O)N(C2=O)c1ccccc1
STK572016
Synonyms: methylN-{[2-methyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)phenyl]carbamoyl}-L-valinate
Smiles: COC(=O)[C@H](C(C)C)NC(=O)Nc1cc(ccc1C)c1n[nH]c(=O)c2c1cccc2
STK572017
Synonyms: 5-(2-hydroxyphenyl)-N-(pyridin-3-yl)-1H-pyrazole-3-carboxamide
Smiles: O=C(c1n[nH]c(c1)c1ccccc1O)Nc1cccnc1
STK847737
Synonyms: 3,6,6-trimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide
Smiles: Cc1onc(c1)NC(=O)c1oc2c(c1C)C(=O)CC(C2)(C)C
STK572018
Synonyms: 6-chloro-7-methyl-4-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-4H-chromene-2-carboxamide
Smiles: O=C(c1cc(=O)c2c(o1)cc(c(c2)Cl)C)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1
STK572019
Synonyms: 12-(furan-2-yl)-2-(pyridin-3-yl)-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
Smiles: O=C1CCCC2=C1C(c1ccco1)c1c(O2)ncn2c1nc(n2)c1cccnc1
STK572020
Synonyms: [2-(1,3-benzothiazol-2-yl)pyridin-3-yl](2-methyl-2,3-dihydro-1H-indol-1-yl)methanone
Smiles: CC1Cc2c(N1C(=O)c1cccnc1c1nc3c(s1)cccc3)cccc2
STK572021
Synonyms: 5-(2-hydroxy-3,5-dimethylphenyl)-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide
Smiles: Cc1cc(C)c(c(c1)c1[nH]nc(c1)C(=O)Nc1ccccc1C(F)(F)F)O
STK572024
Synonyms: 5-(benzylsulfanyl)-10-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: CC1CCc2c(C1)c1c(s2)nc(n2c1ncn2)SCc1ccccc1
STK847739
Synonyms: 5-(4-fluorophenyl)-4-hydroxy-1,3,7-trimethyl-N-(2-methylphenyl)-2-oxo-1,2,3,5-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
Smiles: Fc1ccc(cc1)C1C(=C(C)N=c2c1c(O)n(C)c(=O)n2C)C(=O)Nc1ccccc1C
STK572026
Synonyms: 4-(8-hydroxy-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9-yl)-1,5-dimethyl-1H-pyrrole-2-carbonitrile
Smiles: N#Cc1cc(c(n1C)C)C1C2=C(O)CCCC2=Nc2n1ncn2
STK572028
Synonyms: 2-[(5E)-5-(3,4-dihydroxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanedioicacid
Smiles: OC(=O)CC(N1C(=S)S/C(=C/c2ccc(c(c2)O)O)/C1=O)C(=O)O
STK572030
Synonyms: 7-benzyl-1-(benzylamino)-3-[(3-hydroxypropyl)amino]-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile
Smiles: OCCCNc1nc(NCc2ccccc2)c2c(c1C#N)CCN(C2)Cc1ccccc1
STK572034
Synonyms: N-[(2Z)-3-benzyl-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-phenylacetamide
Smiles: O=C(/N=C/1\SC2C(N1Cc1ccccc1)CS(=O)(=O)C2)Cc1ccccc1
STK572038
Synonyms: 2-(4-methoxyphenyl)-N-[(1S)-3-(methylsulfanyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
Smiles: CSCC[C@@H](c1nnc2n1cccc2)NC(=O)Cc1ccc(cc1)OC
STK847746
Synonyms: methyl4-{[5-(2,4-dihydroxyphenyl)-3-methyl-1H-pyrazol-4-yl]oxy}benzoate
Smiles: COC(=O)c1ccc(cc1)Oc1c(C)n[nH]c1c1ccc(cc1O)O
STK572040
Synonyms: N-(5-chloro-2-methoxyphenyl)-5-(2-hydroxyphenyl)-1H-pyrazole-3-carboxamide
Smiles: COc1ccc(cc1NC(=O)c1n[nH]c(c1)c1ccccc1O)Cl
STK847749
Synonyms: 1-benzyl-N-(furan-2-ylmethyl)-7-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: Cc1ccc2n(c1)c(=O)c1c(n2)n(c(c1)C(=O)NCc1ccco1)Cc1ccccc1
STK572042
Synonyms: (5E)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Smiles: N#CC1=C(C)/C(=C\c2ccc(o2)c2ccccc2[N+](=O)[O-])/C(=O)N(C1=O)C1CCS(=O)(=O)C1
STK572047
Synonyms: 8-(4-ethylpiperazin-1-yl)-6-hydroxy-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: CCN1CCN(CC1)c1nc2c(n1CC(COc1ccccc1C)O)c(O)nc(=O)n2C
STK572052
Synonyms: 4-[(4-fluorophenyl)carbonyl]-2-(4-methylphenyl)hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione
Smiles: Cc1ccc(cc1)N1C(=O)C2C(C1=O)C(N1C2CCC1)C(=O)c1ccc(cc1)F
STK572057
Synonyms:
Smiles: O=C(c1ccc(cc1)N1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1)N[C@H](C(=O)O)C(O)C
STK572060
Synonyms: 2-(8-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)-4-imino-9,10-dimethoxy-6,7-dihydro-4H-pyrido[2,1-a]isoquinoline-3-carbonitrile
Smiles: COc1cc2CCn3c(c2cc1OC)cc(c(c3=N)C#N)c1cc(Br)c2c(c1)OCCO2
STK572064
Synonyms: 1-(4-chlorophenyl)-5,7-dimethyl-2-(pyridin-3-ylmethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Clc1ccc(cc1)C1N(Cc2cccnc2)C(=O)c2c1c(=O)c1c(o2)c(C)cc(c1)C
STK572067
Synonyms: methylN-{(1E)-1-[1-(4-chlorophenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]propyl}tryptophanate
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccc(cc1)Cl)O)/NC(C(=O)OC)Cc1c[nH]c2c1cccc2
STK847757
Synonyms: ethyl1,1-dicyano-2-(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)-6-azaspiro[2.5]octane-6-carboxylate
Smiles: CCOC(=O)N1CCC2(CC1)C(C2(C#N)C#N)C(=O)C12CC3CC(C2)CC(C1)C3
STK572075
Synonyms: 4-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]benzoicacid
Smiles: Cc1sc2c(c1)c(ncn2)Nc1ccc(cc1)C(=O)O
STK572077
Synonyms: 6-chloro-7-methyl-N-{4-[(3-methylpiperidin-1-yl)sulfonyl]phenyl}-4-oxo-4H-chromene-2-carboxamide
Smiles: CC1CCCN(C1)S(=O)(=O)c1ccc(cc1)NC(=O)c1cc(=O)c2c(o1)cc(c(c2)Cl)C
STK572082
Synonyms: 1-(3-chlorophenyl)-6-cyclohexyl-2-sulfanyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: Clc1cccc(c1)n1c(S)nc(=O)c2c1NCN(C2)C1CCCCC1
STK572087
Synonyms: 5,5-dimethyl-2-(morpholin-4-ylmethyl)-5,6-dihydrobenzo[h]quinazolin-4-ol
Smiles: Oc1nc(CN2CCOCC2)nc2c1C(C)(C)Cc1c2cccc1
STK572090
Synonyms: 2-[(4-chlorophenoxy)methyl]-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Clc1ccc(cc1)OCc1nn2c(n1)c1c(nc2)sc2c1CC(C)(C)OC2
STK572091
Synonyms: N-[3-(morpholin-4-yl)propyl]-3,5-diphenylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: O1CCN(CC1)CCCNc1cc(nc2n1ncc2c1ccccc1)c1ccccc1
STK572095
Synonyms: (8aR)-7-cyclohexyltetrahydro[1,3]thiazolo[3,4-a]pyrazine-5,8-dione
Smiles: O=C1N(CC(=O)N2[C@H]1CSC2)C1CCCCC1
STK572096
Synonyms: 3-(1H-benzimidazol-2-yl)-N-[2-(cyclohex-1-en-1-yl)ethyl]propanamide
Smiles: O=C(CCc1nc2c([nH]1)cccc2)NCCC1=CCCCC1
STK847762
Synonyms: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-methyl-4-oxo-4H-chromene-2-carboxamide
Smiles: Cc1ccc2c(c1)c(=O)cc(o2)C(=O)Nc1sc2c(c1C(=O)N)CCCC2
STK572099
Synonyms: 10-(3-hydroxyphenyl)-1,3-dimethyl-5-phenyl-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione
Smiles: Oc1cccc(c1)C1OCCn2c1c1n(C)c(=O)n(c(=O)c1c2c1ccccc1)C
STK572102
Synonyms: N-(3-oxo-3-{[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino}propyl)benzamide
Smiles: O=C(NCCc1nnc2n1cccc2)CCNC(=O)c1ccccc1
STK572104
Synonyms: N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-oxo-2H-chromene-3-carboxamide
Smiles: Brc1cccc(c1)CN(C(=O)c1cc2ccccc2oc1=O)C1CCS(=O)(=O)C1
STK572109
Synonyms: 9a-[(E)-2-(4-chlorophenyl)ethenyl]-7,9,9-trimethyl-9,9a-dihydro-1H-imidazo[1,2-a]indol-2(3H)-one
Smiles: O=C1CN2C(N1)(/C=C/c1ccc(cc1)Cl)C(c1c2ccc(c1)C)(C)C
STK572112
Synonyms: N-[3-(dimethylamino)propyl]-5,6-dimethoxy-1H-indole-2-carboxamide
Smiles: COc1cc2[nH]c(cc2cc1OC)C(=O)NCCCN(C)C
STK572113
Synonyms: N-(furan-2-ylmethyl)-3-methyl-N-[(7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]butanamide
Smiles: CC(CC(=O)N(Cc1cc2ccc(cc2[nH]c1=O)C)Cc1ccco1)C
STK847764
Synonyms: 2-methyl-8-[4-(2-methylphenyl)piperazin-1-yl]-3-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidine
Smiles: Cc1ccccc1N1CCN(CC1)c1c2CCCc2nc2n1nc(c2c1ccccc1)C
STK847765
Synonyms: 7-(2-methylphenyl)-2-(pyridin-3-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Cc1ccccc1n1ncc2c1ncn1c2nc(n1)c1cccnc1
STK572120
Synonyms: 8-(butan-2-ylamino)-6-hydroxy-7-[2-hydroxy-3-(4-methylphenoxy)propyl]-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: CCC(Nc1nc2c(n1CC(COc1ccc(cc1)C)O)c(O)nc(=O)n2C)C
STK572125
Synonyms: (4Z)-6-[(4-ethylpiperazin-1-yl)methyl]-4-(phenylimino)-4,5-dihydro-1,3,5-triazin-2-amine
Smiles: CCN1CCN(CC1)Cc1nc(N)n/c(=N\c2ccccc2)/[nH]1
STK572128
Synonyms: N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-valine
Smiles: CC([C@@H](C(=O)O)NC(=O)c1cc2c(n1C)ccc(c2)Cl)C
STK572133
Synonyms: 2-[(4-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy]-N-(pyridin-3-ylmethyl)propanamide
Smiles: O=C(C(Oc1ccc2c(c1C)oc(=O)c1c2CCCC1)C)NCc1cccnc1
STK572134
Synonyms: (E)-N-[(9-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methoxy]-1-phenylmethanimine
Smiles: CC1CCc2c(C1)sc1c2c2nc(nn2cn1)CO/N=C/c1ccccc1
STK572135
Synonyms: 2-amino-5-(2,4-dichlorobenzyl)-6-methylpyrimidin-4-ol
Smiles: Clc1ccc(c(c1)Cl)Cc1c(C)nc(nc1O)N
STK572136
Synonyms: N-[(2-hydroxyquinolin-4-yl)methyl]-N-(4-methylphenyl)pyridine-4-carboxamide
Smiles: Cc1ccc(cc1)N(C(=O)c1ccncc1)Cc1cc(O)nc2c1cccc2
STK572137
Synonyms: 5,6-dimethyl-N,7-di(pyridin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Smiles: Cc1n(c2cccnc2)c2c(c1C)c(ncn2)Nc1cccnc1
STK572140
Synonyms: 8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]furo[3,2-d]pyrimidine-4(3H)-thione
Smiles: S=c1[nH]cnc2c1oc1c2cc2c(n1)CC(OC2)(C)C
STK572142
Synonyms: 5-methoxy-3-methyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
Smiles: COc1ccc2c(c1)c(C)c([nH]2)C(=O)NCc1cccnc1
STK572145
Synonyms: methyl{1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate
Smiles: COC(=O)Cn1c(CN2CCC(CC2)C)nc2c1c(=O)n(c(=O)n2C)C
STK572148
Synonyms: (4E)-4-[(4-chlorophenyl)(hydroxy)methylidene]-1,5-bis(4-fluorophenyl)pyrrolidine-2,3-dione
Smiles: Fc1ccc(cc1)C1/C(=C(/c2ccc(cc2)Cl)\O)/C(=O)C(=O)N1c1ccc(cc1)F
STK847770
Synonyms: (2Z)-3-oxo-2-(pyridin-4-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl4-fluorobenzenesulfonate
Smiles: Fc1ccc(cc1)S(=O)(=O)Oc1ccc2c(c1)O/C(=C\c1ccncc1)/C2=O
STK572151
Synonyms: 4-({[(5Z)-5-(2-chlorobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl}amino)-2-hydroxybenzoicacid
Smiles: O=C(CN1C(=O)S/C(=C\c2ccccc2Cl)/C1=O)Nc1ccc(c(c1)O)C(=O)O
STK572153
Synonyms: 2-(4-chlorophenyl)-9-methyl-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: CN1CCc2c(C1)sc1c2c2nc(nn2cn1)c1ccc(cc1)Cl
STK572155
Synonyms: methylN-(quinoxalin-6-ylcarbamoyl)-L-valinate
Smiles: COC(=O)[C@H](C(C)C)NC(=O)Nc1ccc2c(c1)nccn2
STK847771
Synonyms: 2-{[4-(4-fluorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}phthalazin-1(2H)-one
Smiles: Fc1ccc(cc1)n1c(=S)[nH]nc1Cn1ncc2c(c1=O)cccc2
STK572159
Synonyms: 7-butyl-1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCn1c(CN2CCN(CC2)c2ccccc2)nc2c1c(=O)n(c(=O)n2C)C
STK572160
Synonyms: (5s,7s)-2-(4-ethylphenyl)-5-methyl-7-phenyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Smiles: CCc1ccc(cc1)C1N2C[C@@]3(CN1C[C@](C2)(C3=O)c1ccccc1)C
STK572163
Synonyms: N-(3-chloro-2-methylphenyl)-5-(2-hydroxy-4-methylphenyl)-1H-pyrazole-3-carboxamide
Smiles: Cc1ccc(c(c1)O)c1[nH]nc(c1)C(=O)Nc1cccc(c1C)Cl
STK572168
Synonyms: N-(4-fluorophenyl)-5,6-dimethyl-7-(pyridin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Smiles: Fc1ccc(cc1)Nc1ncnc2c1c(C)c(n2c1cccnc1)C
STK847773
Synonyms: (5Z)-3-(2-fluorobenzyl)-2-hydroxy-5-[(2-methoxynaphthalen-1-yl)methylidene]-3,5-dihydro-4H-imidazol-4-one
Smiles: COc1ccc2c(c1/C=C/1\N=C(N(C1=O)Cc1ccccc1F)O)cccc2
STK572173
Synonyms: (5Z)-5-[5-(4-chlorophenyl)pyrazolidin-3-ylidene]-6-hydroxy-3-(3-methoxypropyl)pyrimidine-2,4(3H,5H)-dione
Smiles: COCCCN1C(=O)N=C(/C(=C\2/NNC(C2)c2ccc(cc2)Cl)/C1=O)O
STK572176
Synonyms: 7-benzyl-6-hydroxy-3-methyl-8-{[3-(propan-2-yloxy)propyl]amino}-3,7-dihydro-2H-purin-2-one
Smiles: CC(OCCCNc1nc2c(n1Cc1ccccc1)c(O)nc(=O)n2C)C
STK572179
Synonyms: N-(2-chlorophenyl)-4-(4-methoxyphenyl)-1-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: COc1ccc(cc1)c1cn2c3n1CCCCc3c(c2C(=O)Nc1ccccc1Cl)c1ccccc1
STK847775
Synonyms: 2-{2-[(2-fluorobenzyl)oxy]-3-methoxyphenyl}-2,3-dihydro-4H-1,3-benzoxazin-4-one
Smiles: COc1cccc(c1OCc1ccccc1F)C1NC(=O)c2c(O1)cccc2
STK572188
Synonyms: 2-[(6-chloro-2-oxo-4-propyl-2H-chromen-7-yl)oxy]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
Smiles: CCCc1cc(=O)oc2c1cc(Cl)c(c2)OC(C(=O)NCCCN1CCCC1=O)C
STK847776
Synonyms: N-(4-ethoxyphenyl)-1-(3-methoxypropyl)-9-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: COCCCn1c(cc2c1nc1c(C)cccn1c2=O)C(=O)Nc1ccc(cc1)OCC
STK847777
Synonyms: 8-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-1,3-dimethyl-7-(2-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cc1ccccc1Cn1c(CN2CCc3c(C2)cccc3)nc2c1c(=O)n(c(=O)n2C)C
STK572194
Synonyms: trans-4-({[N-(tert-butoxycarbonyl)-L-leucyl]amino}methyl)cyclohexanecarboxylicacid
Smiles: CC(C[C@@H](C(=O)NC[C@@H]1CC[C@H](CC1)C(=O)O)NC(=O)OC(C)(C)C)C
STK847778
Synonyms: 5-methyl-N-(3-methylphenyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: Cc1cccc(c1)Nc1cc(C)nc2n1ncc2c1ccccc1
STK572195
Synonyms: (2Z)-2-(7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-ylidene)-N-(3-methoxypropyl)ethanethioamide
Smiles: COCCCNC(=S)/C=C/1\NCCc2c1cc1OCOc1c2
STK572198
Synonyms: 7-(4-benzylpiperazin-1-yl)-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
Smiles: COc1ccccc1c1c(C)nn2c1nc(C)cc2N1CCN(CC1)Cc1ccccc1
STK572199
Synonyms:
Smiles: CCC([C@@H](C(=O)OC)NC(=O)Nc1cccc(c1Cl)Cl)C
STK572204
Synonyms: (5E)-3-(furan-2-ylmethyl)-5-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-2-thioxo-1,3-thiazolidin-4-one
Smiles: CC1Oc2c(C1)cc(cc2)/C=C\1/SC(=S)N(C1=O)Cc1ccco1
STK572205
Synonyms: 5-bromo-3-methyl-N-(pyridin-2-ylmethyl)-1H-indole-2-carboxamide
Smiles: Brc1ccc2c(c1)c(C)c([nH]2)C(=O)NCc1ccccn1
STK572206
Synonyms: (2R)-[(N~5~-carbamoyl-N~2~-{[3-(4-fluorophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetyl}-L-ornithyl)amino](phenyl)ethanoicacid
Smiles: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)occ1c1ccc(cc1)F)N[C@H](C(=O)N[C@H](c1ccccc1)C(=O)O)CCCNC(=O)N
STK572207
Synonyms: 4-{(2E)-2-[(4-methoxy-6-{2-[methyl(propanoyl)amino]ethyl}-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}benzoicacid
Smiles: CCC(=O)N(CCc1cc2OCOc2c(c1/C=N/Nc1ccc(cc1)C(=O)O)OC)C
STK572209
Synonyms: N-(2-benzyl-5-hydroxy[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-tert-butylbenzamide
Smiles: Oc1cc(NC(=O)c2ccc(cc2)C(C)(C)C)n2c(n1)nc(n2)Cc1ccccc1
STK847782
Synonyms: 3-(2,4-dimethoxyphenyl)-8-(2-methoxynaphthalen-1-yl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Smiles: N#CC1=C2SCN(CN2C(=O)CC1c1c(OC)ccc2c1cccc2)c1ccc(cc1OC)OC
STK572210
Synonyms: 5-(2-hydroxy-4,5-dimethylphenyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide
Smiles: O=C(c1n[nH]c(c1)c1cc(C)c(cc1O)C)Nc1cccc(c1)C(F)(F)F
STK572216
Synonyms: methyl{[9-(3,5-difluorophenyl)-8-hydroxy-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-2-yl]sulfanyl}acetate
Smiles: COC(=O)CSc1nn2c(n1)N=C1C(=C(O)CCC1)C2c1cc(F)cc(c1)F
STK572221
Synonyms: 2-[2-(3,4-dimethoxyphenyl)ethyl]-5,7-dimethyl-1-(4-methylphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1ccc(cc1OC)CCN1C(=O)c2c(C1c1ccc(cc1)C)c(=O)c1c(o2)c(C)cc(c1)C
STK572223
Synonyms: 2-[2-amino-5-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]-5-[(2-chlorobenzyl)oxy]phenol
Smiles: COc1ccc(cc1)c1c(nc(nc1C(F)(F)F)N)c1ccc(cc1O)OCc1ccccc1Cl
STK572228
Synonyms: 3-(2-bromophenoxy)-8-[(dimethylamino)methyl]-7-hydroxy-4H-chromen-4-one
Smiles: CN(Cc1c(O)ccc2c1occ(c2=O)Oc1ccccc1Br)C
STK572231
Synonyms: 1,3-diphenyl-4-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6-ol
Smiles: COc1cc(cc(c1OC)OC)C1CC(=Nc2c1c(nn2c1ccccc1)c1ccccc1)O
STK572232
Synonyms: 2-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
Smiles: O=C(Cn1c(O)nc2c(c1=O)cccc2)Nc1ccc(cc1)C(F)(F)F
STK572235
Synonyms: 9,9-dimethyl-2-(pyridin-2-yl)-12-(pyridin-3-yl)-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
Smiles: O=C1CC(C)(C)CC2=C1C(c1cccnc1)c1c(O2)ncn2c1nc(n2)c1ccccn1
STK847787
Synonyms: 3-(2-chlorophenyl)-5-methyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: Cc1cc(NCCc2ccccc2)n2c(n1)c(cn2)c1ccccc1Cl
STK572236
Synonyms: 5,9-dimethyl-2-(phenoxymethyl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: CN1CCc2c(C1)sc1c2c2nc(nn2c(n1)C)COc1ccccc1
STK572239
Synonyms: 2-[(5Z)-5-(2-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]acetamide
Smiles: OCC(NC(=O)CN1C(=S)S/C(=C\c2ccccc2F)/C1=O)Cc1ccccc1
STK572241
Synonyms: 8-(2-chlorophenyl)-1,3,7-trimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: Clc1ccccc1n1c(C)cn2c1nc1c2c(=O)n(c(=O)n1C)C
STK572242
Synonyms: 1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-3,3-dimethylbutan-1-one
Smiles: COc1cc2CN(CCc2cc1OC)C(=O)CC(C)(C)C
STK572243
Synonyms: 2-[(6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy]-N-(pyridin-2-ylmethyl)acetamide
Smiles: O=C(NCc1ccccn1)COc1cc2oc(=O)cc(c2cc1Cl)C
STK572244
Synonyms: 6,7-dimethyl-4-[(4-methylpiperidin-1-yl)methyl]-2H-chromen-2-one
Smiles: CC1CCN(CC1)Cc1cc(=O)oc2c1cc(C)c(c2)C
STK572246
Synonyms: N-(furan-2-ylmethyl)-2-(9-methoxy-5-oxo-2,3-dihydro[1,3]thiazolo[3',2':1,2]pyrimido[5,4-b]indol-6(5H)-yl)acetamide
Smiles: COc1ccc2c(c1)c1nc3SCCn3c(=O)c1n2CC(=O)NCc1ccco1
STK847789
Synonyms: N-(3-chlorophenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: Clc1cccc(c1)Nc1cc(C)nc2n1ncc2c1ccccc1
STK572250
Synonyms: 4-[(2E)-2-(6-amino-2-hydroxy-4-oxopyrimidin-5(4H)-ylidene)hydrazinyl]benzoicacid
Smiles: OC1=NC(=O)/C(=N/Nc2ccc(cc2)C(=O)O)/C(=N1)N
STK572251
Synonyms: 1-(2-fluorobenzyl)-8-[(2-hydroxyethyl)(methyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCCN(c1nc2c(n1C)c(=O)n(c(=O)n2C)Cc1ccccc1F)C
STK572252
Synonyms: 1-amino-2-[(2-hydroxyethyl)amino]-4-[(4-methoxyphenyl)amino]anthracene-9,10-dione
Smiles: OCCNc1cc(Nc2ccc(cc2)OC)c2c(c1N)C(=O)c1c(C2=O)cccc1
STK572253
Synonyms: 6-chloro-1-hydroxy-3-[(3-oxobutan-2-yl)oxy]-9H-xanthen-9-one
Smiles: CC(=O)C(Oc1cc(O)c2c(c1)oc1c(c2=O)ccc(c1)Cl)C
STK847794
Synonyms: 1-(4-methoxybenzyl)-8-methyl-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
Smiles: N#Cc1cc2c(n(c1=O)Cc1ccc(cc1)OC)nc1n(c2=O)cc(cc1)C
STK572255
Synonyms: N'-[(1Z)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)ethyl]heptanehydrazide
Smiles: CCCCCCC(=O)NN/C(=C\1/C(=NC(=NC1=O)O)O)/C
STK847795
Synonyms: 2-{4-[5-tert-butyl-3-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl}ethanol
Smiles: OCCN1CCN(CC1)c1cc(nc2n1ncc2c1ccccc1Cl)C(C)(C)C
STK847796
Synonyms: (2Z)-2-[(3-methylthiophen-2-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl3-nitrobenzoate
Smiles: O=C1/C(=C/c2sccc2C)/Oc2c1ccc(c2)OC(=O)c1cccc(c1)[N+](=O)[O-]
STK572260
Synonyms: 2-[4-(2-fluorophenyl)piperazin-1-yl]-5,6-dimethylpyrimidin-4-ol
Smiles: Fc1ccccc1N1CCN(CC1)c1nc(C)c(c(n1)O)C
STK572261
Synonyms: 7,8-dimethyl-4-oxo-N-(pyridin-3-yl)-4H-chromene-2-carboxamide
Smiles: O=C(c1cc(=O)c2c(o1)c(C)c(cc2)C)Nc1cccnc1
STK572266
Synonyms: ethyl3-{[(3,4-dimethylphenyl)sulfonyl]amino}-5-methoxy-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NS(=O)(=O)c1ccc(c(c1)C)C)cc(cc2)OC
STK572267
Synonyms: (2'S,3R,7a'S)-5-chloro-N-(2,5-dimethoxyphenyl)-7-methyl-2-oxo-1,1',2,2',5',6',7',7a'-octahydrospiro[indole-3,3'-pyrrolizine]-2'-carboxamide
Smiles: COc1ccc(cc1NC(=O)[C@H]1C[C@H]2N([C@@]31C(=O)Nc1c3cc(Cl)cc1C)CCC2)OC
STK847798
Synonyms: N'-[(E)-(2,3-dimethoxyphenyl)methylidene]-2-(3-hydroxy-5-methyl-4H-pyrazol-4-yl)acetohydrazide
Smiles: COc1cccc(c1OC)/C=N/NC(=O)CC1C(=NN=C1O)C
STK572268
Synonyms: 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(3,4-dimethoxyphenyl)-5-(3-hydroxypropyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: OCCCN1C(=O)c2c(C1c1ccc(c(c1)OC)OC)c([nH]n2)c1cc(Cl)c(cc1O)C
STK847800
Synonyms: 2-(4-fluorophenyl)-N-[(2E)-6-(pyrrolidin-1-ylsulfonyl)-1,3-benzothiazol-2(3H)-ylidene]acetamide
Smiles: Fc1ccc(cc1)CC(=O)/N=c\1/sc2c([nH]1)ccc(c2)S(=O)(=O)N1CCCC1
STK572274
Synonyms: 3-(8-imino-7-phenyl-7H-benzo[7,8]chromeno[2,3-d]pyrimidin-9(8H)-yl)-N,N-dimethylpropan-1-amine
Smiles: CN(CCCn1cnc2c(c1=N)C(c1ccccc1)c1c(O2)c2ccccc2cc1)C
STK572275
Synonyms: 8-[(diethylammonio)methyl]-3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-olate
Smiles: COc1cc(ccc1OC)c1c(=O)c2ccc(c(c2oc1C(F)(F)F)C[NH+](CC)CC)[O-]
STK572276
Synonyms: 2-[4-(4-chlorophenyl)-3-methyl-1,2-oxazol-5-yl]-5-[(4-methylbenzyl)oxy]phenol
Smiles: Cc1ccc(cc1)COc1ccc(c(c1)O)c1onc(c1c1ccc(cc1)Cl)C
STK847802
Synonyms: 3-(benzylamino)-6-chloro-4-phenylquinolin-2-ol
Smiles: Clc1ccc2c(c1)c(c1ccccc1)c(c(n2)O)NCc1ccccc1
STK847803
Synonyms: 3-(2,4-dimethoxyphenyl)-6-oxo-8-(3,4,5-trimethoxyphenyl)-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Smiles: COc1ccc(c(c1)OC)N1CSC2=C(C#N)C(CC(=O)N2C1)c1cc(OC)c(c(c1)OC)OC
STK572284
Synonyms: N-{[6-chloro-8-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}-2,5-dimethylbenzenesulfonamide
Smiles: Clc1cc(c2n(c1)c(nn2)CNS(=O)(=O)c1cc(C)ccc1C)C(F)(F)F
STK572285
Synonyms: (2S)-N-cyclopropyl-2-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanamide
Smiles: O=C([C@@H](n1c(O)nc2c(c1=O)cccc2)Cc1c[nH]c2c1cccc2)NC1CC1
STK572288
Synonyms: 5-[7-(1H-indol-3-yl)-2-(methylsulfanyl)-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5(4H)-ylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CSc1nn2c(n1)NC(=C1C(=O)N(C)C(=O)N(C1=O)C)CC2c1c[nH]c2c1cccc2
STK572290
Synonyms: 2-[2-amino-5-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]-5-[(2-chloro-6-fluorobenzyl)oxy]phenol
Smiles: Nc1nc(c2ccc(cc2O)OCc2c(F)cccc2Cl)c(c(n1)C(F)(F)F)c1ccc(cc1)Cl
STK572291
Synonyms: (4Z)-4-[(3,4-dimethylphenyl)imino]-6-[(4-methylpiperazin-1-yl)methyl]-4,5-dihydro-1,3,5-triazin-2-amine
Smiles: CN1CCN(CC1)Cc1nc(N)n/c(=N\c2ccc(c(c2)C)C)/[nH]1
STK572293
Synonyms: 1-[10-(furan-2-yl)-8-methyl-2-(thiophen-2-yl)-10H-pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-yl]ethanone
Smiles: CC(=O)C1=C(C)Oc2c(C1c1ccco1)c1nc(nn1cn2)c1cccs1
STK572298
Synonyms: 4-{[(1E)-1-(1-butyl-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)propyl]amino}benzoicacid
Smiles: CCCCN1C(=O)N=C(/C(=C(\Nc2ccc(cc2)C(=O)O)/CC)/C1=O)O
STK847804
Synonyms: 2-methoxyethyl5-{[(2,6-dimethoxyphenyl)carbonyl]oxy}-2-methyl-1-benzofuran-3-carboxylate
Smiles: COCCOC(=O)c1c(C)oc2c1cc(cc2)OC(=O)c1c(OC)cccc1OC
STK572302
Synonyms: 4-(2-methoxyphenyl)-2-[(4-methoxyphenyl)amino]-8-methyl-4H-pyrimido[1,2-a][1,3,5]triazin-6-ol
Smiles: COc1ccc(cc1)NC1=NC(n2c(=N1)nc(C)cc2O)c1ccccc1OC
STK572306
Synonyms: N'-[(1E)-1-(1-cyclohexyl-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)ethyl]-2-hydroxybenzohydrazide
Smiles: O=C1N=C(O)/C(=C(\NNC(=O)c2ccccc2O)/C)/C(=O)N1C1CCCCC1
STK847806
Synonyms: 3-benzyl-8-(4-fluorophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Smiles: N#CC1=C2SCN(CN2C(=O)CC1c1ccc(cc1)F)Cc1ccccc1
STK572309
Synonyms: 7-hydrazinyl-4-(2-methylpropyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidine
Smiles: NNc1ncnc2c1oc1c2c2CCCc2c(n1)CC(C)C
STK572314
Synonyms: 2-[(biphenyl-4-yloxy)methyl]-5-{[2-(morpholin-4-yl)ethyl]amino}-1,3-oxazole-4-carbonitrile
Smiles: N#Cc1nc(oc1NCCN1CCOCC1)COc1ccc(cc1)c1ccccc1
STK572315
Synonyms: 14-(furan-2-yl)-2-methyl-14H-benzo[7,8]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Cc1nn2c(n1)c1c(nc2)Oc2c(C1c1ccco1)ccc1c2cccc1
STK572316
Synonyms: 5-[4-(benzyloxy)-3-methoxyphenyl]-7-hydroxy-2-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-4(3H)-one
Smiles: COc1cc(ccc1OCc1ccccc1)C1CC(=Nc2c1c(=O)[nH]c(n2)C)O
STK572324
Synonyms: 3-[11-imino-12-(4-methoxyphenyl)-11H-benzo[5,6]chromeno[2,3-d]pyrimidin-10(12H)-yl]-N,N-dimethylpropan-1-amine
Smiles: COc1ccc(cc1)C1c2c(ccc3c2cccc3)Oc2c1c(=N)n(cn2)CCCN(C)C
STK572326
Synonyms: N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-ethoxybenzamide
Smiles: CCOc1ccccc1C(=O)N(C1CCS(=O)(=O)C1)Cc1ccc(c(c1)OC)OC
STK847808
Synonyms: 3-[(2E)-2-(3-nitrobenzylidene)hydrazinyl]-1,2,4-triazin-5-ol
Smiles: Oc1cnnc(n1)N/N=C/c1cccc(c1)[N+](=O)[O-]
STK572331
Synonyms: methylN-[(2-chlorobenzyl)carbamoyl]-D-phenylalaninate
Smiles: COC(=O)[C@@H](Cc1ccccc1)NC(=O)NCc1ccccc1Cl
STK847810
Synonyms: 5-ethoxy-2-(4-phenyl-1H-pyrazol-3-yl)phenol
Smiles: CCOc1ccc(c(c1)O)c1n[nH]cc1c1ccccc1
STK572334
Synonyms: 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-2,6-dihydroxy-3-propylpyrimidin-4(3H)-one
Smiles: CCCn1c(O)nc(c(c1=O)C1NCCc2c1cc(OC)c(c2)OC)O
STK572337
Synonyms: 4-{(E)-2-[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]ethenyl}-6-(trifluoromethyl)pyrimidin-2-ol
Smiles: COc1ccc(cc1)c1n[nH]cc1/C=C/c1nc(O)nc(c1)C(F)(F)F
STK572338
Synonyms: 5-[(2,6-dichlorobenzyl)oxy]-2-[4-(2-methoxyphenoxy)-1H-pyrazol-3-yl]phenol
Smiles: COc1ccccc1Oc1c[nH]nc1c1ccc(cc1O)OCc1c(Cl)cccc1Cl
STK572339
Synonyms: 7-chloro-1-(3-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-6-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1ccc(cc1)CCN1C(=O)c2c(C1c1cccc(c1)OC)c(=O)c1c(o2)cc(c(c1)Cl)C
STK572340
Synonyms: 5-(2-hydroxy-4-methylphenyl)-N-{3-[(3-methoxypropyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-1H-pyrazole-3-carboxamide
Smiles: COCCCNC(=O)c1c(NC(=O)c2n[nH]c(c2)c2ccc(cc2O)C)sc2c1CCCC2
STK572342
Synonyms: N-[5-hydroxy-2-(2-phenylethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzamide
Smiles: Oc1cc(NC(=O)c2ccccc2)n2c(n1)nc(n2)CCc1ccccc1
STK572343
Synonyms: N-[4-(difluoromethoxy)phenyl]-5-(2-hydroxy-4-methylphenyl)-1H-pyrazole-3-carboxamide
Smiles: FC(Oc1ccc(cc1)NC(=O)c1n[nH]c(c1)c1ccc(cc1O)C)F
STK572351
Synonyms: N-[5,7-bis(4-methoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-methoxyacetamide
Smiles: COCC(=O)Nc1nc2n(n1)C(CC(N2)c1ccc(cc1)OC)c1ccc(cc1)OC
STK847813
Synonyms: 5-ethoxy-2-(3-methyl-4-phenyl-1H-pyrazol-5-yl)phenol
Smiles: CCOc1ccc(c(c1)O)c1[nH]nc(c1c1ccccc1)C
STK572355
Synonyms:
Smiles: CCC([C@H](C(=O)O)NC(=O)NCCC1=CCCCC1)C
STK572356
Synonyms: (3aR,6aS)-3-(2,5-dimethoxyphenyl)-5-(4-methylphenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: COc1ccc(cc1C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1)C)OC
STK847814
Synonyms: 1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: O=c1c2cc(n(c2nc2n1cccc2)Cc1ccccc1)C(=O)Nc1ccc2c(c1)OCCO2
STK847815
Synonyms: (2Z)-3-oxo-2-(pyridin-4-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl4-nitrobenzoate
Smiles: O=C1/C(=C/c2ccncc2)/Oc2c1ccc(c2)OC(=O)c1ccc(cc1)[N+](=O)[O-]
STK847818
Synonyms: (2Z)-3-oxo-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl3-nitrobenzoate
Smiles: O=C1/C(=C/c2cccnc2)/Oc2c1ccc(c2)OC(=O)c1cccc(c1)[N+](=O)[O-]
STK572375
Synonyms: 5-(2-hydroxy-4-methylphenyl)-N-[2-(phenylcarbamoyl)-1-benzofuran-3-yl]-1H-pyrazole-3-carboxamide
Smiles: Cc1ccc(c(c1)O)c1[nH]nc(c1)C(=O)Nc1c(oc2c1cccc2)C(=O)Nc1ccccc1
STK572382
Synonyms: (5Z)-6-hydroxy-5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)-2-sulfanylpyrimidin-4(5H)-one
Smiles: SC1=NC(=O)/C(=C\NCCCn2ccnc2)/C(=N1)O
STK847820
Synonyms: 5-butyl-3-(2-hydroxyphenyl)-4-(3,4,5-trimethoxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: CCCCN1C(=O)c2c(C1c1cc(OC)c(c(c1)OC)OC)c([nH]n2)c1ccccc1O
STK847821
Synonyms: pyridin-3-yl2-oxo-2H-chromene-3-carboxylate
Smiles: O=C(c1cc2ccccc2oc1=O)Oc1cccnc1
STK572386
Synonyms: 9-methyl-2-[(naphthalen-2-yloxy)methyl]-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: CN1CCc2c(C1)sc1c2c2nc(nn2cn1)COc1ccc2c(c1)cccc2
STK847822
Synonyms: 4-(4-fluorophenyl)-5-(2-hydroxyethyl)-3-(2-hydroxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: OCCN1C(=O)c2c(C1c1ccc(cc1)F)c([nH]n2)c1ccccc1O
STK572387
Synonyms: (2E)-2-(1,3-benzoxazol-2-yl)-3-(2-ethoxyphenyl)prop-2-enenitrile
Smiles: CCOc1ccccc1/C=C(/c1nc2c(o1)cccc2)\C#N
STK572390
Synonyms: 2,5-dimethyl-3-(4-methylphenyl)-7-[4-(2-methylprop-2-en-1-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
Smiles: CC(=C)CN1CCN(CC1)c1cc(C)nc2n1nc(c2c1ccc(cc1)C)C
STK572391
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[cyclohexyl(methyl)amino]methyl}-1H-1,2,3-triazole-4-carboxylicacid
Smiles: CN(C1CCCCC1)Cc1c(nnn1c1nonc1N)C(=O)O
STK572392
Synonyms: N-(4-ethoxyphenyl)-2-methyl-3-phenyl-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: CCCc1cc(Nc2ccc(cc2)OCC)n2c(n1)c(c1ccccc1)c(n2)C
STK572395
Synonyms: 2-[2-amino-5-(4-bromophenyl)pyrimidin-4-yl]-5-[(2,4-dichlorobenzyl)oxy]phenol
Smiles: Nc1ncc(c(n1)c1ccc(cc1O)OCc1ccc(cc1Cl)Cl)c1ccc(cc1)Br
STK572399
Synonyms:
Smiles: CCOCCCNC(=O)N[C@@H](C(CC)C)C(=O)O
STK572402
Synonyms: N-[(2Z)-1,3-benzothiazol-2(3H)-ylidene]-5-cycloheptyl-1,4,5,6-tetrahydro-1,3,5-triazin-2-amine
Smiles: C1CCCC(CC1)N1CNC(=NC1)/N=c/1\sc2c([nH]1)cccc2
STK572403
Synonyms: 5-[(4-bromobenzyl)oxy]-2-[5-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]phenol
Smiles: COc1ccccc1c1c(ncnc1C(F)(F)F)c1ccc(cc1O)OCc1ccc(cc1)Br
STK572405
Synonyms: 3-(furan-2-yl)-6-methyl-N-(1-phenylethyl)heptan-1-amine
Smiles: CC(CCC(c1ccco1)CCNC(c1ccccc1)C)C
STK847826
Synonyms: N-[(2Z,5Z)-4-hydroxy-5-(8-methoxy-4,4,6-trimethyl-2-oxo-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-ylidene)-1,3-thiazol-2(5H)-ylidene]acetamide
Smiles: COc1cc2/C(=C\3/S/C(=N\C(=O)C)/N=C3O)/C(=O)N3c2c(c1)C(=CC3(C)C)C
STK572412
Synonyms: 2-[(Z)-1-cyano-2-(4-methoxyphenyl)ethenyl]benzoicacid
Smiles: N#C/C(=C\c1ccc(cc1)OC)/c1ccccc1C(=O)O
STK572413
Synonyms: N-[(8-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(2-methylpropyl)methanesulfonamide
Smiles: CC(CN(S(=O)(=O)C)Cc1cc2cccc(c2[nH]c1=O)C)C
STK847829
Synonyms: 2-phenoxy-N-[3-(quinoxalin-2-yl)phenyl]acetamide
Smiles: O=C(Nc1cccc(c1)c1cnc2c(n1)cccc2)COc1ccccc1
STK572416
Synonyms: N-{[3-(propan-2-yloxy)propyl]carbamoyl}-L-leucine
Smiles: CC(OCCCNC(=O)N[C@H](C(=O)O)CC(C)C)C
STK847831
Synonyms: 2-amino-5-(4-bromophenyl)-4-hydroxy-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one
Smiles: O=C1Nc2nc(N)nc(c2C(C1)c1ccc(cc1)Br)O
STK572425
Synonyms: 2-[(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ol
Smiles: COc1cc2CN(CCc2cc1OC)Cc1nc(O)c2c(n1)sc1c2CCCC1
STK847832
Synonyms: N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]-2-(3-hydroxy-5-methyl-4H-pyrazol-4-yl)acetohydrazide
Smiles: O=C(CC1C(=NN=C1O)C)N/N=C/c1c(F)cccc1Cl
STK847833
Synonyms: 7-ethyl-1,3-dimethyl-8-(morpholin-4-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCn1c(CN2CCOCC2)nc2c1c(=O)n(c(=O)n2C)C
STK572428
Synonyms:
Smiles: CCC([C@@H](C(=O)OC)NC(=O)N1CCC(CC1)C(=O)N)C
STK572429
Synonyms: (3Z)-6-chloro-3-(2-hydroxybenzylidene)-1,3-dihydro-2H-indol-2-one
Smiles: Clc1ccc2c(c1)NC(=O)/C/2=C\c1ccccc1O
STK572435
Synonyms: 10-methyl-8-phenyl-11-(pyridin-3-yl)-2-(pyridin-4-yl)-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Cc1nn(c2c1C(c1cccnc1)c1c(O2)ncn2c1nc(n2)c1ccncc1)c1ccccc1
STK847835
Synonyms: ethyl4-{[7-(cyanomethoxy)-4-oxo-4H-chromen-3-yl]oxy}benzoate
Smiles: N#CCOc1ccc2c(c1)occ(c2=O)Oc1ccc(cc1)C(=O)OCC
STK572448
Synonyms: N-(4-bromophenyl)-5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: Clc1ccc(cc1)c1c(C)nn2c1nc(cc2Nc1ccc(cc1)Br)C(C)(C)C
STK572456
Synonyms: 4-{[(E)-(2,5-dimethoxyphenyl)methylidene]amino}-5-(2-fluorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1ccc(c(c1)/C=N/n1c(=S)[nH]nc1c1ccccc1F)OC
STK572457
Synonyms: ethyl[2-(4-chlorophenyl)-7-hydroxypyrazolo[1,5-a]pyrimidin-5-yl]acetate
Smiles: CCOC(=O)Cc1cc(O)n2c(n1)cc(n2)c1ccc(cc1)Cl
STK572459
Synonyms: N-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-3-methylpentanamide
Smiles: COc1ccccc1C(CC(=O)NCc1ccco1)(CC)C
STK572461
Synonyms: N'-[5-tert-butyl-3-(2-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylethane-1,2-diamine
Smiles: CN(CCNc1cc(nc2n1nc(c2c1ccccc1Cl)C)C(C)(C)C)C
STK572462
Synonyms: 1-{3-methoxy-4-[(4-methylbenzyl)oxy]phenyl}-2-(5-methyl-1,2-oxazol-3-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1cc(ccc1OCc1ccc(cc1)C)C1N(c2noc(c2)C)C(=O)c2c1c(=O)c1c(o2)cccc1
STK847836
Synonyms: N-(4-ethylphenyl)-1-(3-methoxypropyl)-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: COCCCn1c(cc2c1nc1ccccn1c2=O)C(=O)Nc1ccc(cc1)CC
STK572465
Synonyms: 3-[(3a'S,6a'R)-5-chloro-5'-(4-fluorobenzyl)-2,4',6'-trioxo-1,2,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl]propanoicacid
Smiles: OC(=O)CCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)Cc1ccc(cc1)F)C(=O)Nc1c2cc(Cl)cc1
STK572466
Synonyms: 2-hydroxy-N-(1-imino-1,3-dihydro-2H-isoindol-2-yl)benzamide
Smiles: O=C(c1ccccc1O)NN1Cc2c(C1=N)cccc2
STK572468
Synonyms: 5,7-dimethyl-4-({4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}methyl)-2H-chromen-2-one
Smiles: Cc1cc(C)c2c(c1)oc(=O)cc2CN1CCN(CC1)C/C=C/c1ccccc1
STK572475
Synonyms: 4-hydroxy-5,6-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one
Smiles: Cc1nc2[nH]n(c(=O)c2c(c1C)O)c1ccccc1
STK572476
Synonyms: 5-tert-butyl-3-(4-chlorophenyl)-N-(3,5-dichlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: Clc1ccc(cc1)c1c(C)nn2c1nc(cc2Nc1cc(Cl)cc(c1)Cl)C(C)(C)C
STK847837
Synonyms: 5-methyl-3-phenyl-N-(2-phenylethyl)-6-(prop-2-en-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: C=CCc1c(C)nc2n(c1NCCc1ccccc1)ncc2c1ccccc1
STK572477
Synonyms: 2-(3,5-dichloropyridin-2-yl)-2,3-dihydro-1H-isoindol-1-imine
Smiles: Clc1cnc(c(c1)Cl)N1Cc2c(C1=N)cccc2
STK572479
Synonyms: (3R)-N-(4-fluorobenzyl)-2,2-dimethyl-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
Smiles: Fc1ccc(cc1)CNC(=O)[C@H]1N2C(SC1(C)C)c1c(C2=O)cccc1
STK572481
Synonyms: 5-[(4-ethenylbenzyl)oxy]-2-[5-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]phenol
Smiles: COc1ccc(cc1)c1c(ncnc1C(F)(F)F)c1ccc(cc1O)OCc1ccc(cc1)C=C
STK572483
Synonyms: N-[(2-ethylphenyl)carbamoyl]-L-phenylalanine
Smiles: CCc1ccccc1NC(=O)N[C@H](C(=O)O)Cc1ccccc1
STK572486
Synonyms: 2-(furan-2-yl)-3-(furan-2-ylmethyl)-8-methoxy-4H-chromeno[2,3-d]pyrimidine-4,5(3H)-dione
Smiles: COc1ccc2c(c1)oc1c(c2=O)c(=O)n(c(n1)c1ccco1)Cc1ccco1
STK572489
Synonyms: 3,6-diamino-5-cyano-N-(3,4-dimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: COc1cc(ccc1OC)NC(=O)c1sc2c(c1N)cc(c(n2)N)C#N
STK572491
Synonyms: 6-hydroxy-1',6'-dimethyl-3-(2-methylphenyl)-1',4'-dihydro-2H,2'H-spiro[pyrimidine-5,3'-quinoline]-2,4(3H)-dione
Smiles: Cc1ccc2c(c1)CC1(CN2C)C(=NC(=O)N(C1=O)c1ccccc1C)O
STK572496
Synonyms: N~5~-carbamoyl-N~2~-[(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]-L-ornithyl-S-benzyl-L-cysteine
Smiles: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)oc2c1CCCC2)N[C@H](C(=O)N[C@H](C(=O)O)CSCc1ccccc1)CCCNC(=O)N
STK572498
Synonyms: 2-[(4-ethyl-7-methyl-2-oxo-2H-chromen-5-yl)oxy]-N-(pyridin-2-ylmethyl)acetamide
Smiles: CCc1cc(=O)oc2c1c(OCC(=O)NCc1ccccn1)cc(c2)C
STK847841
Synonyms: 2-{2-[(5-tert-butyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethoxy}ethanol
Smiles: OCCOCCNc1cc(nc2n1ncc2c1ccccc1)C(C)(C)C
STK572504
Synonyms: 4-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-6,8-dimethyl-2H-chromen-2-one
Smiles: Clc1cccc(c1)N1CCN(CC1)Cc1cc(=O)oc2c1cc(C)cc2C
STK572507
Synonyms: N-[(2E)-6-(diethylsulfamoyl)-1,3-benzothiazol-2(3H)-ylidene]pyridine-2-carboxamide
Smiles: CCN(S(=O)(=O)c1ccc2c(c1)s/c(=N/C(=O)c1ccccn1)/[nH]2)CC
STK572510
Synonyms: 3-(5-chloro-2-hydroxy-4-methylphenyl)-5-(2-hydroxyethyl)-4-[4-(methylsulfanyl)phenyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: OCCN1C(=O)c2c(C1c1ccc(cc1)SC)c([nH]n2)c1cc(Cl)c(cc1O)C
STK572515
Synonyms:
Smiles: CCC([C@@H](C(=O)Nc1cccc(c1)C)NC(=O)[C@H]1NCc2c(C1)cccc2)C
STK572518
Synonyms: 2-[(5Z)-5-benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-[2-(4-hydroxyphenyl)ethyl]acetamide
Smiles: O=C(CN1C(=S)S/C(=C\c2ccccc2)/C1=O)NCCc1ccc(cc1)O
STK572523
Synonyms: 1-(3,4-dimethylphenyl)-4,6-dihydroxypyrimidin-2(1H)-one
Smiles: Oc1cc(O)n(c(=O)n1)c1ccc(c(c1)C)C
STK572526
Synonyms: 2-[(2,6-dichlorobenzyl)amino]-3,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
Smiles: Clc1cccc(c1CNc1[nH]c2n(n1)c(=O)c1c(n2)CCC1)Cl
STK572527
Synonyms: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(2-hydroxy-4,5-dimethylphenyl)-1H-pyrazole-3-carboxamide
Smiles: COc1cc(CCNC(=O)c2n[nH]c(c2)c2cc(C)c(cc2O)C)ccc1OC
STK847843
Synonyms: N-(5-chloro-2-methoxyphenyl)-5-(pyrazin-2-yl)-1,3,4-thiadiazol-2-amine
Smiles: COc1ccc(cc1Nc1nnc(s1)c1cnccn1)Cl
STK572537
Synonyms: 5-[(4-nitrobenzyl)oxy]-2-[4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol
Smiles: Oc1cc(ccc1c1onc(c1c1ccccc1)C(F)(F)F)OCc1ccc(cc1)[N+](=O)[O-]
STK847844
Synonyms: (2Z)-2-(3,4-dimethoxybenzylidene)-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-ylmorpholine-4-carboxylate
Smiles: COc1cc(ccc1OC)/C=C/1\Oc2c(C1=O)ccc(c2C)OC(=O)N1CCOCC1
STK572540
Synonyms: N-[(2E)-5-(benzylsulfonyl)-1,3,4-thiadiazol-2(3H)-ylidene]-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxamide
Smiles: ClC(=CC1C(C1(C)C)C(=O)/N=c/1\[nH]nc(s1)S(=O)(=O)Cc1ccccc1)Cl
STK847845
Synonyms: 2-(2-{[5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino}ethoxy)ethanol
Smiles: OCCOCCNc1cc(C)nc2n1ncc2c1ccc(cc1)C
STK572543
Synonyms: 2-chloro-N'-[(1Z)-1-(1-cyclohexyl-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)ethyl]benzohydrazide
Smiles: O=C1N=C(O)/C(=C(/NNC(=O)c2ccccc2Cl)\C)/C(=O)N1C1CCCCC1
STK572544
Synonyms: 3-[8-imino-7-(2-methoxyphenyl)-7H-benzo[7,8]chromeno[2,3-d]pyrimidin-9(8H)-yl]-N,N-dimethylpropan-1-amine
Smiles: COc1ccccc1C1c2c(ncn(c2=N)CCCN(C)C)Oc2c1ccc1c2cccc1
STK572545
Synonyms: (2S)-{[(trans-4-{[({1-[(7-methoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetyl]piperidin-4-yl}carbonyl)amino]methyl}cyclohexyl)carbonyl]amino}(phenyl)ethanoicacid
Smiles: COc1ccc2c(c1)oc(=O)c(c2C)CC(=O)N1CCC(CC1)C(=O)NC[C@@H]1CC[C@H](CC1)C(=O)N[C@@H](c1ccccc1)C(=O)O
STK847846
Synonyms: 3-(4-chlorophenyl)-7-(2-ethyl-1H-imidazol-1-yl)-5-methylpyrazolo[1,5-a]pyrimidine
Smiles: CCc1nccn1c1cc(C)nc2n1ncc2c1ccc(cc1)Cl
STK572551
Synonyms: N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-methylbenzyl)-2-propoxybenzamide
Smiles: CCCOc1ccccc1C(=O)N(C1CCS(=O)(=O)C1)Cc1ccc(cc1)C
STK572552
Synonyms: 3-(1H-benzimidazol-2-yl)-N-(tetrahydrofuran-2-ylmethyl)propanamide
Smiles: O=C(CCc1nc2c([nH]1)cccc2)NCC1CCCO1
STK572553
Synonyms: 2-[(4Z)-3-oxo-4-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-7(8H)-ylidene)butyl]-1H-isoindole-1,3(2H)-dione
Smiles: O=C(/C=C/1\NCCc2c1cc1OCCCOc1c2)CCN1C(=O)c2c(C1=O)cccc2
STK572556
Synonyms: N-ethyl-1-(3-methoxypropyl)-4-oxo-N-phenyl-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: COCCCn1c(cc2c1nc1ccccn1c2=O)C(=O)N(c1ccccc1)CC
STK572558
Synonyms: N-[(2E)-4-methylquinazolin-2(1H)-ylidene]-5-(pyridin-3-ylmethyl)-1,4,5,6-tetrahydro-1,3,5-triazin-2-amine
Smiles: Cc1n/c(=N/C2=NCN(CN2)Cc2cccnc2)/[nH]c2c1cccc2
STK572560
Synonyms: 5-(benzyloxy)-2-[4-(4-chlorophenyl)-3-methyl-1H-pyrazol-5-yl]phenol
Smiles: Clc1ccc(cc1)c1c(C)n[nH]c1c1ccc(cc1O)OCc1ccccc1
STK572566
Synonyms: N-[2-(3-fluorophenyl)ethyl]-2-(5-hydroxy-4,7-dimethyl-2-oxo-2H-chromen-3-yl)acetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)c(O)cc(c2)C)NCCc1cccc(c1)F
STK572569
Synonyms: 12-(furan-2-yl)-2,9,9-trimethyl-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
Smiles: Cc1nc2n(n1)cnc1c2C(c2ccco2)C2=C(O1)CC(CC2=O)(C)C
STK572572
Synonyms: 2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-4-(3-methylbenzyl)-1,2-dihydro-3H-pyrazol-3-one
Smiles: Cc1cccc(c1)Cc1c(C)[nH]n(c1=O)c1nc(C)cc(n1)C
STK572578
Synonyms: (1S,2S)-2-phenyl-N'-{(E)-[1-(propan-2-yl)-1H-indol-3-yl]methylidene}cyclopropanecarbohydrazide
Smiles: O=C([C@H]1C[C@@H]1c1ccccc1)N/N=C/c1cn(c2c1cccc2)C(C)C
STK847852
Synonyms: (5E)-3-(3-chlorophenyl)-5-{[2,5-dimethyl-1-(pyridin-3-yl)-1H-pyrrol-3-yl]methylidene}-2-hydroxy-3,5-dihydro-4H-imidazol-4-one
Smiles: Clc1cccc(c1)N1C(=N/C(=C/c2cc(n(c2C)c2cccnc2)C)/C1=O)O
STK572582
Synonyms: (2S)-{[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}(phenyl)ethanoicacid
Smiles: O=C(N[C@@H](c1ccccc1)C(=O)O)CCn1nnc2c(c1=O)cccc2
STK572584
Synonyms: 7-methyl-3-(2-methylpropyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: CC(Cn1cnc2c(c1=O)[nH]c1c2ccc(c1)C)C
STK847853
Synonyms: 2-methyl-7-(morpholin-4-yl)-3-phenyl-5-propylpyrazolo[1,5-a]pyrimidine
Smiles: CCCc1cc(N2CCOCC2)n2c(n1)c(c1ccccc1)c(n2)C
STK847854
Synonyms: (2Z)-2-(furan-2-ylmethylidene)-7-methyl-6-(2-oxopropoxy)-1-benzofuran-3(2H)-one
Smiles: CC(=O)COc1ccc2c(c1C)O/C(=C\c1ccco1)/C2=O
STK572588
Synonyms: 2-{[7,7-dimethyl-2-(4-methylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]sulfanyl}-N-methyl-N-phenylacetamide
Smiles: Cc1ccc(cc1)c1nc(SCC(=O)N(c2ccccc2)C)c2c(n1)CC(OC2)(C)C
STK572589
Synonyms: (3E)-3-[2-(1-benzofuran-2-yl)-2-oxoethylidene]-1,3-dihydro-2H-indol-2-one
Smiles: O=C(c1cc2c(o1)cccc2)/C=C\1/C(=O)Nc2c1cccc2
STK572590
Synonyms: ethyl4-[(5-{4-[(2-chloro-6-fluorobenzyl)oxy]-2-hydroxyphenyl}-1H-pyrazol-4-yl)oxy]benzoate
Smiles: CCOC(=O)c1ccc(cc1)Oc1cn[nH]c1c1ccc(cc1O)OCc1c(F)cccc1Cl
STK572592
Synonyms: N-[2-(3,4-dimethoxyphenyl)ethyl]-5,6-dimethylfuro[2,3-d]pyrimidin-4-amine
Smiles: COc1cc(CCNc2ncnc3c2c(C)c(o3)C)ccc1OC
STK572593
Synonyms: 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-(2-hydroxy-3,5-dimethylphenyl)-5-(2-hydroxyethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: OCCN1C(=O)c2c(C1c1cc(Br)c(c(c1)OC)O)c([nH]n2)c1cc(C)cc(c1O)C
STK572595
Synonyms: 8-(2-chlorophenyl)-1,3,6,7-tetramethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: Clc1ccccc1n1c2nc3c(n2c(c1C)C)c(=O)n(c(=O)n3C)C
STK847856
Synonyms: (2Z)-3-oxo-2-(pyridin-4-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl3-nitrobenzoate
Smiles: O=C1/C(=C/c2ccncc2)/Oc2c1ccc(c2)OC(=O)c1cccc(c1)[N+](=O)[O-]
STK847857
Synonyms: ethyl2-{[(6,8-dimethyl-4-oxo-4H-chromen-2-yl)carbonyl]amino}-4-(4-methylphenyl)thiophene-3-carboxylate
Smiles: CCOC(=O)c1c(scc1c1ccc(cc1)C)NC(=O)c1cc(=O)c2c(o1)c(C)cc(c2)C
STK572599
Synonyms: N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-[4-(propan-2-yl)phenoxy]acetamide
Smiles: Brc1cccc(c1)CN(C1CCS(=O)(=O)C1)C(=O)COc1ccc(cc1)C(C)C
STK572600
Synonyms: 3-(3,5-dimethylphenyl)-6-hydroxy-1',6'-dimethyl-1',4'-dihydro-2H,2'H-spiro[pyrimidine-5,3'-quinoline]-2,4(3H)-dione
Smiles: Cc1cc(C)cc(c1)N1C(=O)N=C(C2(C1=O)CN(C)c1c(C2)cc(cc1)C)O
STK572601
Synonyms: 5-[(2,4-dichlorobenzyl)oxy]-2-[4-(4-methoxyphenyl)-1H-pyrazol-3-yl]phenol
Smiles: COc1ccc(cc1)c1c[nH]nc1c1ccc(cc1O)OCc1ccc(cc1Cl)Cl
STK572608
Synonyms: ethyl1-amino-5-(2-methylpropyl)-6,7,8,9-tetrahydrofuro[2,3-c]isoquinoline-2-carboxylate
Smiles: CCOC(=O)c1oc2c(c1N)c1CCCCc1c(n2)CC(C)C
STK572611
Synonyms: 2-[(5E)-5-(4-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
Smiles: O=C(CN1C(=S)S/C(=C/c2ccc(cc2)F)/C1=O)NCCc1c[nH]c2c1cccc2
STK572616
Synonyms: 3-(biphenyl-4-yloxy)-8-[(diprop-2-en-1-ylammonio)methyl]-4-oxo-4H-chromen-7-olate
Smiles: C=CC[NH+](Cc1c([O-])ccc2c1occ(c2=O)Oc1ccc(cc1)c1ccccc1)CC=C
STK572617
Synonyms: N-[(6-chloro-7-methoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetyl]-L-phenylalanyl-L-valine
Smiles: COc1cc2oc(=O)c(c(c2cc1Cl)C)CC(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)Cc1ccccc1
STK572619
Synonyms: (3aS,4R,4aS,7aR,8R,8aS)-6-(4-acetylphenyl)-3-(2,4-dimethoxyphenyl)-4a,7a,8,8a-tetrahydro-3aH-4,8-epoxy[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione
Smiles: COc1ccc(c(c1)OC)C1=NO[C@H]2[C@@H]1[C@@H]1O[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1)C(=O)C
STK847861
Synonyms: 6-ethyl-N-[(2Z)-6-fluoro-1,3-benzothiazol-2(3H)-ylidene]-4-oxo-4H-chromene-2-carboxamide
Smiles: CCc1ccc2c(c1)c(=O)cc(o2)C(=O)/N=c/1\sc2c([nH]1)ccc(c2)F
STK847862
Synonyms: 3-[3-(3-ethoxy-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-yl)propanamide
Smiles: CCOc1cc(ccc1OC)c1noc(n1)CCC(=O)Nc1cccnc1
STK572625
Synonyms: N-(2,4-dichlorophenyl)-3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide
Smiles: O=C(Nc1ccc(cc1Cl)Cl)CCn1nnc2c(c1=O)cccc2
STK572627
Synonyms: N-[4-(4-chlorophenyl)-1,2,5-oxadiazol-3-yl]-4-methoxybenzamide
Smiles: COc1ccc(cc1)C(=O)Nc1nonc1c1ccc(cc1)Cl
STK572630
Synonyms: ethyl{(E)-amino[(2Z)-1,3-benzothiazol-2(3H)-ylideneamino]methylidene}carbamate
Smiles: CCOC(=O)/N=C(/N=c/1\sc2c([nH]1)cccc2)\N
STK572635
Synonyms: 8-{[butyl(methyl)ammonio]methyl}-3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-olate
Smiles: CCCC[NH+](Cc1c([O-])ccc2c1oc(c(c2=O)c1ccc(cc1)Cl)C(F)(F)F)C
STK572639
Synonyms: 1-[1-(2,5-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-2-(naphthalen-2-yloxy)ethanone
Smiles: COc1ccc(cc1C1N(CCC2(C1CCCC2)O)C(=O)COc1ccc2c(c1)cccc2)OC
STK847866
Synonyms: N-(4-chloro-2,5-dimethoxyphenyl)-3-(5-methyl-2H-tetrazol-2-yl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide
Smiles: COc1cc(Cl)c(cc1NC(=O)C12CC3CC(C1)CC(C2)(C3)n1nnc(n1)C)OC
STK847868
Synonyms: 3-(2-methoxyethyl)-1,6,7-trimethyl-8-(2-methylphenyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: COCCn1c(=O)n(C)c2c(c1=O)n1c(n2)n(c(c1C)C)c1ccccc1C
STK572652
Synonyms: 3-[7-(furan-2-yl)-8-imino-7H-benzo[7,8]chromeno[2,3-d]pyrimidin-9(8H)-yl]-N,N-dimethylpropan-1-amine
Smiles: CN(CCCn1cnc2c(c1=N)C(c1ccco1)c1c(O2)c2ccccc2cc1)C
STK572653
Synonyms: 5-(5-chloro-2-hydroxyphenyl)-N-{4-[(3-methylpiperidin-1-yl)sulfonyl]phenyl}-1H-pyrazole-3-carboxamide
Smiles: CC1CCCN(C1)S(=O)(=O)c1ccc(cc1)NC(=O)c1n[nH]c(c1)c1cc(Cl)ccc1O
STK572657
Synonyms: 7-chloro-2-[2-(4-methoxyphenyl)ethyl]-6-methyl-1-(4-methylphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1ccc(cc1)CCN1C(=O)c2c(C1c1ccc(cc1)C)c(=O)c1c(o2)cc(c(c1)Cl)C
STK572664
Synonyms: 5-tert-butyl-N-(3-chloro-4-methylphenyl)-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: Clc1ccc(cc1)c1c(C)nn2c1nc(cc2Nc1ccc(c(c1)Cl)C)C(C)(C)C
STK572671
Synonyms: 2-(2,4-dimethoxy-3-methylphenyl)-4-(2,5-dimethylphenyl)-5-phenyl-1H-imidazole
Smiles: COc1c(C)c(OC)ccc1c1nc(c([nH]1)c1ccccc1)c1cc(C)ccc1C
STK572673
Synonyms: (3S)-N-{(1R)-2-[(2,4-dimethylphenyl)amino]-2-oxo-1-phenylethyl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Smiles: Cc1ccc(c(c1)C)NC(=O)[C@@H](c1ccccc1)NC(=O)[C@H]1NCc2c(C1)cccc2
STK847872
Synonyms: N-[(2E)-6-ethoxy-1,3-benzothiazol-2(3H)-ylidene]-4-oxo-4H-chromene-2-carboxamide
Smiles: CCOc1ccc2c(c1)s/c(=N/C(=O)c1cc(=O)c3c(o1)cccc3)/[nH]2
STK572676
Synonyms: 6-{[(2E)-1-(3-chlorophenyl)-5-methyltetrahydropyrimidin-2(1H)-ylidene]amino}-3-ethyl-1-methylpyrimidine-2,4(1H,3H)-dione
Smiles: CCn1c(=O)cc(n(c1=O)C)/N=C/1\NCC(CN1c1cccc(c1)Cl)C
STK572677
Synonyms: 3-methyl-N-[3-oxo-2-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-2-yl]benzamide
Smiles: Cc1cccc(c1)C(=O)NC1(Nc2n(C1=O)c1c(n2)cccc1)C(F)(F)F
STK572681
Synonyms: 5-[(4-chlorobenzyl)oxy]-2-(3-methyl-4-phenyl-1H-pyrazol-5-yl)phenol
Smiles: Clc1ccc(cc1)COc1ccc(c(c1)O)c1[nH]nc(c1c1ccccc1)C
STK847873
Synonyms: N-[3-(1H-imidazol-1-yl)propyl]-2,3-diphenylquinoxaline-6-carboxamide
Smiles: O=C(c1ccc2c(c1)nc(c(n2)c1ccccc1)c1ccccc1)NCCCn1cncc1
STK572686
Synonyms: 4-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-6-methyl-2H-chromen-2-one
Smiles: Cc1ccc2c(c1)c(CN1CCN(CC1)C(c1ccccc1)c1ccccc1)cc(=O)o2
STK847875
Synonyms: 2-methyl-3-phenyl-N-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine
Smiles: Cc1nn2c(c1c1ccccc1)nc1c(c2NCc2ccccn2)CCCC1
STK847876
Synonyms: 7-(4-methylphenyl)-3-(tetrahydrofuran-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: Cc1ccc(cc1)n1ncc2c1ncn1c2nnc1C1CCCO1
STK847877
Synonyms: methyl[7-hydroxy-5-methyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate
Smiles: COC(=O)Cc1c(C)nc2n(c1O)nc(n2)c1cccnc1
STK572694
Synonyms: 4'-amino-9',10'-dimethoxy-2-oxo-1,2,6',7'-tetrahydrospiro[indole-3,2'-pyrido[2,1-a]isoquinoline]-3'-carbonitrile
Smiles: N#CC1=C(N)N2CCc3c(C2=CC21C(=O)Nc1c2cccc1)cc(c(c3)OC)OC
STK572697
Synonyms: 4-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-5,7,8-trimethyl-2H-chromen-2-one
Smiles: COc1ccc(cc1)N1CCN(CC1)Cc1cc(=O)oc2c1c(C)cc(c2C)C
STK572698
Synonyms: 5-(4-methoxyphenyl)-4-{[(E)-thiophen-2-ylmethylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1cccs1
STK572702
Synonyms: 4-amino-N-(2-fluorophenyl)-3-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
Smiles: O=C(c1sc(=S)n(c1N)C)Nc1ccccc1F
STK847879
Synonyms: 2,8,10-trimethyl-N-[4-(propan-2-yl)phenyl]pyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-4-amine
Smiles: Cc1cc(Nc2ccc(cc2)C(C)C)n2c(n1)c1c(C)cc(nc1n2)C
STK572704
Synonyms: (5E)-2-hydroxy-5-{[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-3-(4-methylbenzyl)-3,5-dihydro-4H-imidazol-4-one
Smiles: COCCn1c(C)cc(c1C)/C=C\1/N=C(N(C1=O)Cc1ccc(cc1)C)O
STK572707
Synonyms: 5-tert-butyl-7-[4-(2-methylphenyl)piperazin-1-yl]-3-phenylpyrazolo[1,5-a]pyrimidine
Smiles: Cc1ccccc1N1CCN(CC1)c1cc(nc2n1ncc2c1ccccc1)C(C)(C)C
STK572711
Synonyms: 2-(1,3-benzothiazol-2-yl)pyridine-3-carbohydrazide
Smiles: NNC(=O)c1cccnc1c1nc2c(s1)cccc2
STK572712
Synonyms: 2-{ethyl[4-(2-methylpropyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-7-yl]amino}ethanol
Smiles: OCCN(c1ncnc2c1oc1c2c2CCCc2c(n1)CC(C)C)CC
STK847881
Synonyms: N-[3-(3-chlorophenyl)-4-oxo-4H-chromen-2-yl]thiophene-2-carboxamide
Smiles: Clc1cccc(c1)c1c(NC(=O)c2cccs2)oc2c(c1=O)cccc2
STK572715
Synonyms: 7-(furan-2-ylmethyl)-5,6-dimethyl-N-[2-(morpholin-4-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Smiles: Cc1c(C)n(c2c1c(NCCN1CCOCC1)ncn2)Cc1ccco1
STK572716
Synonyms: 3-(2-chlorophenyl)-2,5-dimethyl-7-[4-(2-methylprop-2-en-1-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
Smiles: CC(=C)CN1CCN(CC1)c1cc(C)nc2n1nc(c2c1ccccc1Cl)C
STK572724
Synonyms: 2-(4-benzylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde
Smiles: O=Cc1c(nc2n(c1=O)cccc2)N1CCC(CC1)Cc1ccccc1
STK572734
Synonyms: (5Z)-6-hydroxy-5-[(2E)-1-hydroxy-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-ylidene]-3-(3-methoxypropyl)pyrimidine-2,4(3H,5H)-dione
Smiles: COCCCN1C(=O)N=C(/C(=C(\C=C\c2ccc(c(c2)O)OC)/O)/C1=O)O
STK847882
Synonyms: ethyl2-hydroxy-4-methyl-6-[(1E)-1-phenylprop-1-en-2-yl]-1,6-dihydropyrimidine-5-carboxylate
Smiles: CCOC(=O)C1=C(C)N=C(NC1/C(=C/c1ccccc1)/C)O
STK572738
Synonyms: 2-[(3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl)oxy]-N-(pyridin-3-ylmethyl)acetamide
Smiles: O=C(COc1cc(C)cc2c1c(C)c(c(=O)o2)Cc1ccccc1)NCc1cccnc1
STK572739
Synonyms: 5-[(2,5-dimethylbenzyl)oxy]-2-(3-methyl-4-phenyl-1H-pyrazol-5-yl)phenol
Smiles: Cc1ccc(c(c1)COc1ccc(c(c1)O)c1[nH]nc(c1c1ccccc1)C)C
STK572744
Synonyms: N-{4-[benzyl(methyl)sulfamoyl]phenyl}-6-chloro-7-methyl-4-oxo-4H-chromene-2-carboxamide
Smiles: O=C(c1cc(=O)c2c(o1)cc(c(c2)Cl)C)Nc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C
STK572751
Synonyms: 2-(3-methyl-4-phenyl-1,2-oxazol-5-yl)-5-[(4-nitrobenzyl)oxy]phenol
Smiles: Oc1cc(ccc1c1onc(c1c1ccccc1)C)OCc1ccc(cc1)[N+](=O)[O-]
STK572752
Synonyms: 11-(4-chlorophenyl)-10-methyl-8-phenyl-2-(pyridin-4-yl)-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Clc1ccc(cc1)C1c2c(C)nn(c2Oc2c1c1nc(nn1cn2)c1ccncc1)c1ccccc1
STK572754
Synonyms: 1-benzyl-9-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: O=C(c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cccc1C)Nc1cccc(c1)C(F)(F)F
STK847883
Synonyms: 3-(2-hydroxyphenyl)-4-(4-methylphenyl)-5-(pyridin-3-ylmethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: Cc1ccc(cc1)C1N(Cc2cccnc2)C(=O)c2c1c([nH]n2)c1ccccc1O
STK847884
Synonyms: N-benzyl-N-(4-methoxyphenyl)-6,8-dimethyl-4-oxo-4H-chromene-2-carboxamide
Smiles: COc1ccc(cc1)N(C(=O)c1cc(=O)c2c(o1)c(C)cc(c2)C)Cc1ccccc1
STK572755
Synonyms: 5-tert-butyl-3-(4-chlorophenyl)-N-cyclopentylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: Clc1ccc(cc1)c1cnn2c1nc(cc2NC1CCCC1)C(C)(C)C
STK572756
Synonyms: 7-chloro-1-(3-hydroxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-6-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1ccc(cc1)CCN1C(=O)c2c(C1c1cccc(c1)O)c(=O)c1c(o2)cc(c(c1)Cl)C
STK847885
Synonyms: 1-benzyl-7-methyl-4-oxo-N-(2-phenylethyl)-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: Cc1ccc2n(c1)c(=O)c1c(n2)n(c(c1)C(=O)NCCc1ccccc1)Cc1ccccc1
STK572763
Synonyms: (2Z)-3-[(2-chloropyridin-3-yl)amino]-2-cyanoprop-2-enethioamide
Smiles: NC(=S)/C(=C\Nc1cccnc1Cl)/C#N
STK847888
Synonyms: 1-(2-fluorophenyl)-2-(pyridin-3-ylmethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Fc1ccccc1C1N(Cc2cccnc2)C(=O)c2c1c(=O)c1c(o2)cccc1
STK572764
Synonyms: methylN-[(4-ethoxyphenyl)carbamoyl]-D-phenylalaninate
Smiles: CCOc1ccc(cc1)NC(=O)N[C@@H](C(=O)OC)Cc1ccccc1
STK572765
Synonyms: 2-[(4-methoxybenzyl)amino]-3,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
Smiles: COc1ccc(cc1)CNc1[nH]c2n(n1)c(=O)c1c(n2)CCC1
STK572768
Synonyms: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-{(2S)-1-[(furan-2-ylmethyl)amino]-1-oxopropan-2-yl}-5-oxopyrrolidine-3-carboxamide
Smiles: O=C([C@@H](NC(=O)C1CC(=O)N(C1)c1ccc2c(c1)OCCO2)C)NCc1ccco1
STK572769
Synonyms: 2-methyl-3-phenyl-5-(propan-2-yl)pyrazolo[1,5-a]pyrimidine-7-thiol
Smiles: Cc1nn2c(c1c1ccccc1)nc(cc2S)C(C)C
STK847890
Synonyms: 2-[(4-ethoxyphenyl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ol
Smiles: CCOc1ccc(cc1)Nc1nc(O)c2c(n1)CCC2
STK572779
Synonyms: 6-chloro-2-oxo-4-propyl-2H-chromen-7-yl2-[(tert-butoxycarbonyl)amino]butanoate
Smiles: CCCc1cc(=O)oc2c1cc(Cl)c(c2)OC(=O)C(NC(=O)OC(C)(C)C)CC
STK572781
Synonyms: 6-hydroxy-1',6'-dimethyl-3-(3,4,5-trimethoxyphenyl)-1',4'-dihydro-2H,2'H-spiro[pyrimidine-5,3'-quinoline]-2,4(3H)-dione
Smiles: COc1cc(cc(c1OC)OC)N1C(=O)N=C(C2(C1=O)CN(C)c1c(C2)cc(cc1)C)O
STK847891
Synonyms: 3-(2-methoxyphenoxy)-2-methyl-4-oxo-4H-chromen-7-ylcyclopropanecarboxylate
Smiles: COc1ccccc1Oc1c(C)oc2c(c1=O)ccc(c2)OC(=O)C1CC1
STK572786
Synonyms: (5Z)-3-butyl-5-({3-[2-methyl-4-(propan-2-yloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2C)OC(C)C)c2ccccc2)/C1=O
STK572788
Synonyms: N-[(8-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(tetrahydrofuran-2-ylmethyl)thiophene-2-carboxamide
Smiles: O=C(c1cccs1)N(Cc1cc2cccc(c2[nH]c1=O)C)CC1CCCO1
STK847892
Synonyms: 2-(4-chlorophenyl)-8-methoxy-3-(2-methoxyethyl)-4H-chromeno[2,3-d]pyrimidine-4,5(3H)-dione
Smiles: COCCn1c(nc2c(c1=O)c(=O)c1c(o2)cc(cc1)OC)c1ccc(cc1)Cl
STK572790
Synonyms: 1-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-3-(1H-indol-3-yl)-2-methylpropan-1-one
Smiles: O=C(C(Cc1c[nH]c2c1cccc2)C)N1CCC2(CC1)OCCO2
STK847894
Synonyms: 7-(2-chlorophenyl)-2-(pyridin-4-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Clc1ccccc1n1ncc2c1ncn1c2nc(n1)c1ccncc1
STK572796
Synonyms: 4-[(5E)-5-(3,4-dihydroxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoicacid
Smiles: S=C1S/C(=C/c2ccc(c(c2)O)O)/C(=O)N1c1ccc(cc1)C(=O)O
STK572799
Synonyms: 5-{[(2Z)-3-[2-chloro-5-(trifluoromethyl)phenyl]-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-5-oxopentanoicacid
Smiles: OC(=O)CCCC(=O)/N=C/1\SC2C(N1c1cc(ccc1Cl)C(F)(F)F)CS(=O)(=O)C2
STK572801
Synonyms: N-butyl-2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-(thiophen-2-ylmethyl)acetamide
Smiles: CCCCN(C(=O)CN1C(=O)c2c(S1(=O)=O)cccc2)Cc1cccs1
STK572807
Synonyms: 3-[4-(ethoxycarbonyl)phenoxy]-4-oxo-8-(pyrrolidinium-1-ylmethyl)-2-(trifluoromethyl)-4H-chromen-7-olate
Smiles: CCOC(=O)c1ccc(cc1)Oc1c(=O)c2ccc(c(c2oc1C(F)(F)F)C[NH+]1CCCC1)[O-]
STK572811
Synonyms: 4-chloro-N-[3-(1H-tetrazol-1-yl)phenyl]pyridine-3-carboxamide
Smiles: O=C(c1cnccc1Cl)Nc1cccc(c1)n1cnnn1
STK847895
Synonyms: N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-ethylphenoxy)acetamide
Smiles: CCc1ccc(cc1)OCC(=O)Nc1nonc1c1ccc(c(c1)OC)OC
STK847896
Synonyms: (5E)-3-(3-chlorophenyl)-2-hydroxy-5-{[5-(morpholin-4-yl)furan-2-yl]methylidene}-3,5-dihydro-4H-imidazol-4-one
Smiles: Clc1cccc(c1)N1C(=N/C(=C/c2ccc(o2)N2CCOCC2)/C1=O)O
STK572814
Synonyms: 2-[(5Z)-5-(furan-2-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
Smiles: O=C(CN1C(=S)S/C(=C\c2ccco2)/C1=O)NCCc1c[nH]c2c1cccc2
STK572815
Synonyms: N,N-dimethyl-N'-[3-phenyl-5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine
Smiles: CN(CCNc1cc(nc2n1ncc2c1ccccc1)C(C)C)C
STK847897
Synonyms: 2-[2-amino-5-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]-5-[(2-methylprop-2-en-1-yl)oxy]phenol
Smiles: COc1ccc(cc1)c1c(nc(nc1C(F)(F)F)N)c1ccc(cc1O)OCC(=C)C
STK847898
Synonyms: 2-{[(2Z)-2-(2,3-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetohydrazide
Smiles: NNC(=O)COc1ccc2c(c1)O/C(=C\c1cccc(c1OC)OC)/C2=O
STK847899
Synonyms: 2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-4-(2-methylbenzyl)-1,2-dihydro-3H-pyrazol-3-one
Smiles: Cc1cc(C)nc(n1)n1[nH]c(c(c1=O)Cc1ccccc1C)C
STK847900
Synonyms: 4-(1,3-benzodioxol-5-yl)-5-(quinolin-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: S=c1[nH]nc(n1c1ccc2c(c1)OCO2)c1ccc2c(n1)cccc2
STK572823
Synonyms: 2-[(6-chloro-2-oxo-4-propyl-2H-chromen-7-yl)oxy]-N-(pyridin-3-ylmethyl)propanamide
Smiles: CCCc1cc(=O)oc2c1cc(Cl)c(c2)OC(C(=O)NCc1cccnc1)C
STK572825
Synonyms: 6-chloro-5-methyl-2-[(thiophen-2-ylmethyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Smiles: Cc1nc2nc(nn2c(c1Cl)O)NCc1cccs1
STK847901
Synonyms: 2-[5-(4-methoxyphenyl)pyrimidin-4-yl]-5-[(2-methylprop-2-en-1-yl)oxy]phenol
Smiles: COc1ccc(cc1)c1cncnc1c1ccc(cc1O)OCC(=C)C
STK847902
Synonyms: N-[3-(1H-imidazol-1-yl)propyl]-2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: Cc1ccc(cc1)c1c(C)nn2c1nc(C)cc2NCCCn1cncc1
STK847903
Synonyms: N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]pentanamide
Smiles: CCCCC(=O)Nc1onc(c1)c1ccc(cc1)C
STK572835
Synonyms: 3,4-dihydroisoquinolin-2(1H)-yl(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
Smiles: Cc1cc(C)n2c(n1)nc(n2)C(=O)N1CCc2c(C1)cccc2
STK847906
Synonyms: N-[(2E)-4-hydroxy-2H-1,3-benzothiazin-2-ylidene]-2-(methylsulfanyl)benzamide
Smiles: CSc1ccccc1C(=O)/N=c/1\nc(O)c2c(s1)cccc2
STK572837
Synonyms: 8-(2-ethylphenyl)-1,7-dimethyl-3-[2-(piperidin-1-yl)ethyl]-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: CCc1ccccc1n1c(C)cn2c1nc1c2c(=O)n(c(=O)n1C)CCN1CCCCC1
STK572838
Synonyms: N'-{2-[(4-hydroxyquinazolin-2-yl)sulfanyl]acetyl}furan-2-carbohydrazide
Smiles: O=C(CSc1nc(O)c2c(n1)cccc2)NNC(=O)c1ccco1
STK847907
Synonyms: methyl6-hydroxy-4-[(3-methoxyphenyl)carbamoyl]-2-methyl-4,5-dihydropyridine-3-carboxylate
Smiles: COc1cccc(c1)NC(=O)C1CC(=NC(=C1C(=O)OC)C)O
STK572844
Synonyms: 2-methyl-7-[4-(2-methylprop-2-en-1-yl)piperazin-1-yl]-3-phenyl-5-(propan-2-yl)pyrazolo[1,5-a]pyrimidine
Smiles: CC(=C)CN1CCN(CC1)c1cc(nc2n1nc(c2c1ccccc1)C)C(C)C
STK847911
Synonyms: N-[(4E)-2-(4-tert-butylphenyl)quinazolin-4(3H)-ylidene]-4-methoxyaniline
Smiles: COc1ccc(cc1)/N=c\1/[nH]c(nc2c1cccc2)c1ccc(cc1)C(C)(C)C
STK847912
Synonyms: 3-(2-chlorophenyl)-2,5-dimethyl-N-[3-(morpholin-4-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: Cc1cc(NCCCN2CCOCC2)n2c(n1)c(c(n2)C)c1ccccc1Cl
STK572861
Synonyms: N-{[2-(4-fluorophenyl)ethyl]carbamoyl}-L-phenylalanine
Smiles: O=C(N[C@H](C(=O)O)Cc1ccccc1)NCCc1ccc(cc1)F
STK847913
Synonyms: (2Z)-2-(2-chlorobenzylidene)-6-(2-oxopropoxy)-1-benzofuran-3(2H)-one
Smiles: CC(=O)COc1ccc2c(c1)O/C(=C\c1ccccc1Cl)/C2=O
STK572867
Synonyms: 4-{[(E)-(5-bromothiophen-2-yl)methylidene]amino}-5-(pyridin-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Brc1ccc(s1)/C=N/n1c(=S)[nH]nc1c1ccccn1
STK847915
Synonyms: 4-hydroxy-3,6,6-trimethyl-N-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide
Smiles: O=C(c1oc2c(c1C)C(O)CC(C2)(C)C)Nc1nccs1
STK847916
Synonyms: 3-(2-hydroxy-4,6-dimethylphenyl)-5-(2-hydroxyethyl)-4-(3-hydroxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: OCCN1C(=O)c2c(C1c1cccc(c1)O)c([nH]n2)c1c(C)cc(cc1O)C
STK572877
Synonyms: 2-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-5-ethoxyphenol
Smiles: CCOc1ccc(c(c1)O)c1oncc1c1ccc(cc1)Cl
STK572881
Synonyms: 2-ethyl-5-(4-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Smiles: CCc1nn2c(n1)nc(cc2O)c1ccc(cc1)C
STK572884
Synonyms: 3-(4-bromophenyl)-6-hydroxy-1'-methyl-6'-nitro-2'-phenyl-1',4'-dihydro-2H,2'H-spiro[pyrimidine-5,3'-quinoline]-2,4(3H)-dione
Smiles: Brc1ccc(cc1)N1C(=O)N=C(C2(C1=O)Cc1cc(ccc1N(C2c1ccccc1)C)[N+](=O)[O-])O
STK572885
Synonyms: methyl[(5-cyano-3,3,8-trimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)oxy]acetate
Smiles: COC(=O)COc1nc(C)c2c(c1C#N)CC(OC2)(C)C
STK572886
Synonyms: N'-[(3E)-1-(4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-4-hydroxybenzohydrazide
Smiles: COc1c(OC)ccc2c1C(=O)OC2N1C(=O)/C(=N/NC(=O)c2ccc(cc2)O)/c2c1cccc2
STK572887
Synonyms: 4-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-7,8-dimethyl-2H-chromen-2-one
Smiles: COc1ccccc1N1CCN(CC1)Cc1cc(=O)oc2c1ccc(c2C)C
STK572888
Synonyms: 7-(3-chloro-4-methylphenyl)-2,7-dihydro-3H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine-3-thione
Smiles: Cc1ccc(cc1Cl)n1ncc2c1ncn1c2n[nH]c1=S
STK572890
Synonyms: 6-(4-chlorobenzyl)-5-methyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Smiles: Clc1ccc(cc1)Cc1c(C)nc2n(c1O)nc(n2)C(F)(F)F
STK847920
Synonyms: 4-[4-(diphenylmethyl)piperazin-1-yl]-2,8,10-trimethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidine
Smiles: Cc1cc(N2CCN(CC2)C(c2ccccc2)c2ccccc2)n2c(n1)c1c(C)cc(nc1n2)C
STK572897
Synonyms: 4-hydroxy-6-(4-methylphenyl)-2-phenyl-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one
Smiles: Cc1ccc(cc1)c1cc(O)c2c(n1)[nH]n(c2=O)c1ccccc1
STK572899
Synonyms: 9-(1H-benzimidazol-1-yl)-2-methyl-3-phenyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline
Smiles: Cc1nn2c(c1c1ccccc1)nc1c(c2n2cnc3c2cccc3)CCCC1
STK572901
Synonyms: ethyl3-amino-7,7-dimethyl-7,8-dihydro-5H-furo[2,3-b]pyrano[3,4-e]pyridine-2-carboxylate
Smiles: CCOC(=O)c1oc2c(c1N)cc1c(n2)CC(OC1)(C)C
STK572902
Synonyms: (5S)-5-(propan-2-yl)-3-[2-(pyridin-4-yl)-1,3-benzoxazol-6-yl]imidazolidine-2,4-dione
Smiles: CC([C@@H]1NC(=O)N(C1=O)c1ccc2c(c1)oc(n2)c1ccncc1)C
STK847923
Synonyms: N-cyclopentyl-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: COc1cc(ccc1OC)c1c(C)nn2c1nc(C)cc2NC1CCCC1
STK847924
Synonyms: 2-(benzylsulfanyl)-6-hydroxy-4-(3-methoxyphenyl)-4,5-dihydropyridine-3-carbonitrile
Smiles: N#CC1=C(SCc2ccccc2)N=C(CC1c1cccc(c1)OC)O
STK572905
Synonyms: ([(4-tert-butylbenzyl)sulfanyl]{[3-(trifluoromethyl)phenyl]amino}methylidene)propanedinitrile
Smiles: N#CC(=C(Nc1cccc(c1)C(F)(F)F)SCc1ccc(cc1)C(C)(C)C)C#N
STK572907
Synonyms: (5Z)-5-(4-hydroxybenzylidene)-2-[(4-hydroxyphenyl)amino]-1,3-thiazol-4(5H)-one
Smiles: Oc1ccc(cc1)NC1=NC(=O)/C(=C/c2ccc(cc2)O)/S1
STK572909
Synonyms: ethyl2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-(4-ethylpiperazin-1-yl)pyrimidine-5-carboxylate
Smiles: CCOC(=O)c1cnc(nc1N1CCN(CC1)CC)n1nc(cc1C)C
STK572911
Synonyms: 3-[(3a'S,6a'R)-5'-tert-butyl-5-chloro-2,4',6'-trioxo-1,2,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl]propanoicacid
Smiles: OC(=O)CCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)C(C)(C)C)C(=O)Nc1c2cc(Cl)cc1
STK847927
Synonyms: 2-amino-N-propyl-1,3-benzothiazole-6-sulfonamide
Smiles: CCCNS(=O)(=O)c1ccc2c(c1)sc(n2)N
STK847929
Synonyms: N-(3-methoxyphenyl)-1,7-dimethyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: COc1cccc(c1)NC(=O)c1cc2c(n1C)nc1n(c2=O)cc(cc1)C
STK572924
Synonyms: 4-(3-chloro-4-fluorophenyl)-5-(4-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1ccc(cc1)c1n[nH]c(=S)n1c1ccc(c(c1)Cl)F
STK572927
Synonyms: 4-fluoro-N-[5-hydroxy-2-(2-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzamide
Smiles: Fc1ccc(cc1)C(=O)Nc1cc(O)nc2n1nc(n2)c1ccccc1C
STK847931
Synonyms: 7-(2-methylphenyl)-2-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Cc1ccccc1n1ncc2c1ncn1c2nc(n1)c1ccccc1
STK572930
Synonyms: 1-(3-hydroxyphenyl)-2-(2-methoxyethyl)-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COCCN1C(=O)c2c(C1c1cccc(c1)O)c(=O)c1c(o2)c(C)cc(c1)C
STK572932
Synonyms: (2S)-2-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)propanoicacid
Smiles: OC(=O)[C@@H](n1c(O)nc2c(c1=O)cccc2)C
STK847932
Synonyms: 7-(3,5-dimethyl-1H-pyrazol-1-yl)-5,6-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine
Smiles: Cc1nn(c(c1)C)c1c(C)c(C)nc2n1ncc2c1ccccc1
STK572940
Synonyms: 4-(5-chloro-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine
Smiles: Clc1ccc2c(c1)c(c1csc(n1)N)c([nH]2)C
STK847933
Synonyms: 8-(2-fluorophenyl)-3-(4-methoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Smiles: N#CC1=C2SCN(CN2C(=O)CC1c1ccccc1F)c1ccc(cc1)OC
STK572942
Synonyms: N-(4,5-dimethyl-2-nitrophenyl)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)acetamide
Smiles: O=C(Nc1cc(C)c(cc1[N+](=O)[O-])C)CN1CCc2c(C1)cc1c(c2)OCCCO1
STK572945
Synonyms: 1-(5-methyl-1-{6-[4-(phenylsulfonyl)phenoxy]pyrimidin-4-yl}-1H-pyrazol-4-yl)ethanone
Smiles: CC(=O)c1cnn(c1C)c1ncnc(c1)Oc1ccc(cc1)S(=O)(=O)c1ccccc1
STK572947
Synonyms: 4-(4-methoxyphenyl)-N-[4-(phenylcarbamoyl)phenyl]tetrahydro-2H-pyran-4-carboxamide
Smiles: COc1ccc(cc1)C1(CCOCC1)C(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1
STK572948
Synonyms: N-[(2-hydroxyquinolin-4-yl)methyl]-2-methyl-N-(2-methylphenyl)propanamide
Smiles: Oc1cc(CN(c2ccccc2C)C(=O)C(C)C)c2c(n1)cccc2
STK847935
Synonyms: 1-benzyl-9-methyl-N-(4-methylphenyl)-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: Cc1ccc(cc1)NC(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cccc1C
STK572950
Synonyms: 2-(8-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)-4-imino-6,7-dihydro-4H-[1,3]dioxolo[4,5-g]pyrido[2,1-a]isoquinoline-3-carbonitrile
Smiles: N#Cc1c(cc2n(c1=N)CCc1c2cc2OCOc2c1)c1cc(Br)c2c(c1)OCCO2
STK572953
Synonyms: 2-[(4-methoxybenzyl)amino]-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one
Smiles: CCCc1cc(=O)n2c(n1)[nH]c(n2)NCc1ccc(cc1)OC
STK572956
Synonyms: (5S)-5-methyl-3-[4-(morpholin-4-ylmethyl)phenyl]imidazolidine-2,4-dione
Smiles: C[C@@H]1NC(=O)N(C1=O)c1ccc(cc1)CN1CCOCC1
STK572961
Synonyms: 6'-amino-3,4':2',4''-terpyridine-5'-carbonitrile
Smiles: N#Cc1c(N)nc(cc1c1cccnc1)c1ccncc1
STK572962
Synonyms: 2-(benzylamino)-3-(3-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)NCc1ccccc1)c1cccc(c1)Cl
STK572963
Synonyms: N-[5-chloro-2-(1H-1,2,4-triazol-1-yl)phenyl]-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetamide
Smiles: COc1cc2CCN(Cc2cc1OC)CC(=O)Nc1cc(Cl)ccc1n1ncnc1
STK572965
Synonyms: (4E)-5-(3-bromo-4-hydroxy-5-methoxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione
Smiles: COc1cc(cc(c1O)Br)C1/C(=C(/c2ccccc2)\O)/C(=O)C(=O)N1c1noc(c1)C
STK847937
Synonyms: (2Z)-2-(2,3-dimethoxybenzylidene)-6-[2-oxo-2-(piperidin-1-yl)ethoxy]-1-benzofuran-3(2H)-one
Smiles: COc1c(cccc1OC)/C=C/1\Oc2c(C1=O)ccc(c2)OCC(=O)N1CCCCC1
STK572971
Synonyms: 1-{[(3S)-2-(tert-butoxycarbonyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]carbonyl}piperidine-4-carboxylicacid
Smiles: OC(=O)C1CCN(CC1)C(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C
STK572972
Synonyms: 2-[2-(4-methoxyphenyl)ethyl]-5,7-dimethyl-1-[4-(propan-2-yl)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1ccc(cc1)CCN1C(=O)c2c(C1c1ccc(cc1)C(C)C)c(=O)c1c(o2)c(C)cc(c1)C
STK847938
Synonyms: 3-amino-N-(2,6-dichlorophenyl)-6-(pyridin-4-yl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: O=C(c1sc2c(c1N)ccc(n2)c1ccncc1)Nc1c(Cl)cccc1Cl
STK572978
Synonyms: 4,5-dichloro-1-[2-(2-methoxyphenoxy)ethyl]-1H-imidazole
Smiles: COc1ccccc1OCCn1cnc(c1Cl)Cl
STK572982
Synonyms: 2-chloro-N-[(2Z)-6-chloro-1,3-benzothiazol-2(3H)-ylidene]pyridine-3-carboxamide
Smiles: Clc1ccc2c(c1)s/c(=N\C(=O)c1cccnc1Cl)/[nH]2
STK572984
Synonyms: 7-(5-chloro-2-methylphenyl)-3-(3,4-dichlorophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: Clc1ccc(c(c1)n1ncc2c1ncn1c2nnc1c1ccc(c(c1)Cl)Cl)C
STK847941
Synonyms: 1-benzyl-9-methyl-N-[3-(morpholin-4-yl)propyl]-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: O=C(c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cccc1C)NCCCN1CCOCC1
STK572990
Synonyms:
Smiles: CCC([C@@H](C(=O)O)NC(=O)Nc1ccc(c(c1)Cl)Cl)C
STK572991
Synonyms: 3-butyl-4-hydroxypyrimido[1,2-a]benzimidazol-2(1H)-one
Smiles: CCCCc1c(=O)[nH]c2n(c1O)c1ccccc1n2
STK572998
Synonyms: 4-hydroxy-6-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-2-phenyl-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one
Smiles: Cc1nnc(s1)SCc1cc(O)c2c(n1)[nH]n(c2=O)c1ccccc1
STK573000
Synonyms: N-benzyl-5,6-dimethoxy-N-methyl-1H-indole-2-carboxamide
Smiles: COc1cc2[nH]c(cc2cc1OC)C(=O)N(Cc1ccccc1)C
STK573002
Synonyms: 8-ethoxy-N-[2-(morpholin-4-yl)ethyl]-5H-pyrimido[5,4-b]indol-4-amine
Smiles: CCOc1ccc2c(c1)c1ncnc(c1[nH]2)NCCN1CCOCC1
STK573004
Synonyms: 5-[(4-ethenylbenzyl)oxy]-2-(4-phenyl-1H-pyrazol-5-yl)phenol
Smiles: C=Cc1ccc(cc1)COc1ccc(c(c1)O)c1[nH]ncc1c1ccccc1
STK573008
Synonyms: 4-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-7-methyl-2H-chromen-2-one
Smiles: Fc1ccc(cc1)N1CCN(CC1)Cc1cc(=O)oc2c1ccc(c2)C
STK847947
Synonyms: (5-ethoxy-2-phenyl-1-benzofuran-3-yl)(morpholin-4-yl)methanone
Smiles: CCOc1ccc2c(c1)c(C(=O)N1CCOCC1)c(o2)c1ccccc1
STK573021
Synonyms: 6-hydroxy-7-(2-methoxyethyl)-3-methyl-8-[(4-methylphenyl)sulfanyl]-3,7-dihydro-2H-purin-2-one
Smiles: COCCn1c(Sc2ccc(cc2)C)nc2c1c(O)nc(=O)n2C
STK573025
Synonyms: 2-{3-[(E)-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-4,5-dimethylthiophene-3-carbonitrile
Smiles: N#Cc1c(C)c(sc1n1c(C)cc(c1C)/C=C/1\C(=NC(=NC1=O)O)O)C
STK847948
Synonyms: 3-(3-chlorophenyl)-8-(2,4-dimethoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Smiles: N#CC1=C2SCN(CN2C(=O)CC1c1ccc(cc1OC)OC)c1cccc(c1)Cl
STK573030
Synonyms: 1-(2-{[(2E)-4,7-dimethylquinazolin-2(1H)-ylidene]amino}-4,6-dimethylpyrimidin-5-yl)ethanone
Smiles: Cc1ccc2c(c1)[nH]/c(=N\c1nc(C)c(c(n1)C)C(=O)C)/nc2C
STK573031
Synonyms: methyl4-(2-sulfanyl-3,4,5,6-tetrahydrobenzo[h]quinazolin-4-yl)benzoate
Smiles: COC(=O)c1ccc(cc1)C1NC(=NC2=C1CCc1c2cccc1)S
STK573036
Synonyms: ethyl10-(furan-2-yl)-8-methyl-2-(pyridin-4-yl)-10H-pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-9-carboxylate
Smiles: CCOC(=O)C1=C(C)Oc2c(C1c1ccco1)c1nc(nn1cn2)c1ccncc1
STK573037
Synonyms: (5Z)-5-[(2E)-3-(2,4-dichlorophenyl)-1-hydroxyprop-2-en-1-ylidene]-6-hydroxy-3-(3-methoxypropyl)pyrimidine-2,4(3H,5H)-dione
Smiles: COCCCN1C(=O)N=C(/C(=C(\C=C\c2ccc(cc2Cl)Cl)/O)/C1=O)O
STK573038
Synonyms: N-{[2-methyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)phenyl]carbamoyl}-L-alanine
Smiles: O=C(Nc1cc(ccc1C)c1n[nH]c(=O)c2c1cccc2)N[C@H](C(=O)O)C
STK573039
Synonyms: N-[6-methyl-2-(4-methylphenyl)-5-oxo-4-phenyl-2,5-dihydropyridazin-3-yl]benzamide
Smiles: Cc1ccc(cc1)n1nc(C)c(=O)c(c1NC(=O)c1ccccc1)c1ccccc1
STK573040
Synonyms: 5-[(2-chlorobenzyl)oxy]-2-[4-(2-ethoxyphenoxy)-1H-pyrazol-3-yl]phenol
Smiles: CCOc1ccccc1Oc1c[nH]nc1c1ccc(cc1O)OCc1ccccc1Cl
STK573041
Synonyms: 1-{[4-(propan-2-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-7-yl]amino}propan-2-ol
Smiles: CC(CNc1ncnc2c1oc1c2c2CCCc2c(n1)C(C)C)O
STK573047
Synonyms: 5-[(5-chloro-2-ethoxybenzyl)amino]-2-(morpholin-4-ium-4-yl)benzoate
Smiles: CCOc1ccc(cc1CNc1ccc(c(c1)C(=O)[O-])[NH+]1CCOCC1)Cl
STK573049
Synonyms: [2-(1,3-benzothiazol-2-yl)pyridin-3-yl](4-methylpiperidin-1-yl)methanone
Smiles: CC1CCN(CC1)C(=O)c1cccnc1c1nc2c(s1)cccc2
STK573054
Synonyms: 2-(2-hydroxyphenyl)-12-(2-methoxyphenyl)-9,9-dimethyl-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
Smiles: COc1ccccc1C1C2=C(Oc3c1c1nc(nn1cn3)c1ccccc1O)CC(CC2=O)(C)C
STK573055
Synonyms: 8-(3,5-dimethyl-1H-pyrazol-1-yl)-6-hydroxy-7-(2-hydroxy-2-phenylethyl)-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: Cc1nn(c(c1)C)c1nc2c(n1CC(c1ccccc1)O)c(O)nc(=O)n2C
STK573056
Synonyms: 4-[(4-benzylpiperidin-1-yl)methyl]-7,8-dihydrocyclopenta[g]chromen-2(6H)-one
Smiles: O=c1cc(CN2CCC(CC2)Cc2ccccc2)c2c(o1)cc1c(c2)CCC1
STK573060
Synonyms: N-[(3,5-dimethoxyphenyl)carbamoyl]-L-methionine
Smiles: CSCC[C@@H](C(=O)O)NC(=O)Nc1cc(OC)cc(c1)OC
STK573062
Synonyms: 9,10-dimethoxy-2-(2-methylphenoxy)-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one
Smiles: COc1cc2c(cc1OC)CCn1c2cc(Oc2ccccc2C)nc1=O
STK573063
Synonyms: 2-(9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)aniline
Smiles: Nc1ccccc1c1nc2n(n1)cnc1c2c2CCCCCc2s1
STK847950
Synonyms: 5-tert-butyl-3-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: CC(c1cc(NCc2cccnc2)n2c(n1)c(cn2)c1ccccc1)(C)C
STK573065
Synonyms: (5Z)-5-(1H-benzimidazol-2-ylmethylidene)-3-(4-fluorophenyl)-2-thioxo-1,3-thiazolidin-4-one
Smiles: Fc1ccc(cc1)N1C(=S)S/C(=C\c2nc3c([nH]2)cccc3)/C1=O
STK573066
Synonyms: (4Z)-4-{[(5-chloro-2-methoxyphenyl)amino]methylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: COc1ccc(cc1N/C=C\1/C(=NN(C1=O)c1ccccc1)C)Cl
STK847951
Synonyms: (2Z)-6-[2-(4-chlorophenyl)-2-oxoethoxy]-2-(furan-2-ylmethylidene)-1-benzofuran-3(2H)-one
Smiles: Clc1ccc(cc1)C(=O)COc1ccc2c(c1)O/C(=C\c1ccco1)/C2=O
STK573068
Synonyms: N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylidene]-4,7-dimethoxy-1H-indole-2-carbohydrazide
Smiles: COc1cccc(c1O)/C=N/NC(=O)c1[nH]c2c(c1)c(OC)ccc2OC
STK573077
Synonyms: (aminomethyl)phosphinicacid
Smiles: NCP(=O)O
STK573079
Synonyms: (3-methyl-6,7-dihydro-5H-spiro[1-benzofuran-4,2'-[1,3]dithiolan]-2-yl)(4-methylpiperazin-1-yl)methanone
Smiles: CN1CCN(CC1)C(=O)c1oc2c(c1C)C1(CCC2)SCCS1
STK573086
Synonyms: 7-{(E)-[2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl}[1,3]dioxolo[4,5-g]quinolin-6-ol
Smiles: Oc1nc2cc3OCOc3cc2cc1/C=N/Nc1ncnc2c1c1CCCCc1s2
STK847952
Synonyms: 5-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)-3-methyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COc1cc(ccc1OC)C1N(c2ccc(cc2)Br)C(=O)c2c1c(C)[nH]n2
STK573088
Synonyms: (2S)-N-cyclopropyl-2-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)-3-phenylpropanamide
Smiles: Oc1nc2ccccc2c(=O)n1[C@H](C(=O)NC1CC1)Cc1ccccc1
STK573093
Synonyms: 7-chloro-1-(3-fluorophenyl)-2-(6-methylpyridin-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Fc1cccc(c1)C1N(c2cccc(n2)C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)Cl
STK573095
Synonyms: 5-(2-hydroxy-3,4-dimethylphenyl)-N-{2-[(4-methylphenyl)carbonyl]-1-benzofuran-3-yl}-1H-pyrazole-3-carboxamide
Smiles: Cc1ccc(cc1)C(=O)c1oc2c(c1NC(=O)c1n[nH]c(c1)c1ccc(c(c1O)C)C)cccc2
STK573096
Synonyms: N,6-diethylthieno[2,3-d]pyrimidin-4-amine
Smiles: CCNc1ncnc2c1cc(s2)CC
STK847954
Synonyms: ethyl2-[(2E)-1,3-benzoxazol-2(3H)-ylideneamino]-4-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}pyrimidine-5-carboxylate
Smiles: CCOC(=O)c1cnc(nc1CSc1nnc(s1)C)/N=c\1/oc2c([nH]1)cccc2
STK847955
Synonyms: (2Z)-2-(furan-2-ylmethylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl3-nitrobenzoate
Smiles: O=C1/C(=C/c2ccco2)/Oc2c1ccc(c2)OC(=O)c1cccc(c1)[N+](=O)[O-]
STK573101
Synonyms: (2Z)-N-(4-bromophenyl)-2-[(2E)-(furan-2-ylmethylidene)hydrazinylidene]-4-hydroxy-5,6-dihydro-2H-1,3-thiazine-6-carboxamide
Smiles: O=C(C1CC(=N/C(=N/N=C/c2ccco2)/S1)O)Nc1ccc(cc1)Br
STK573104
Synonyms: 5-[(2-fluorobenzyl)oxy]-2-[4-(4-methoxyphenyl)-3-methyl-1H-pyrazol-5-yl]phenol
Smiles: COc1ccc(cc1)c1c(C)n[nH]c1c1ccc(cc1O)OCc1ccccc1F
STK573108
Synonyms: (2E)-2-[2-(isoquinolin-1-yl)cyclohexylidene]hydrazinecarbothioamide
Smiles: NC(=S)N/N=C/1\CCCCC1c1nccc2c1cccc2
STK573110
Synonyms: 1-(2-{[(2Z)-4-(4-methylphenyl)-1,3-thiazol-2(3H)-ylidene]amino}-2-oxoethyl)piperidine-4-carboxamide
Smiles: O=C(/N=c/1\scc([nH]1)c1ccc(cc1)C)CN1CCC(CC1)C(=O)N
STK847959
Synonyms: N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide
Smiles: COc1ccc(cc1)c1nonc1NC(=O)C1COc2c(O1)cccc2
STK573113
Synonyms: (6E)-6-{[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene}-7-imino-2-methyl-6,7-dihydro-5H-[1,2]oxazolo[2,3-a]pyrimidin-5-one
Smiles: Clc1ccc(cc1)c1nc2n(c1/C=C\1/C(=O)N=c3n(C1=N)oc(c3)C)ccs2
STK573116
Synonyms: 5-cycloheptyl-N-[(2E)-4,6-dimethylquinazolin-2(1H)-ylidene]-1,4,5,6-tetrahydro-1,3,5-triazin-2-amine
Smiles: Cc1ccc2c(c1)c(C)n/c(=N/C1=NCN(CN1)C1CCCCCC1)/[nH]2
STK573118
Synonyms: 5-(5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-1,3,4-oxadiazol-2-yl)pentan-1-amine
Smiles: NCCCCCc1nnc(o1)SC/C=C/c1ccccc1
STK573119
Synonyms: 5-tert-butyl-7-[4-(2,4-dimethylbenzyl)piperazin-1-yl]-3-phenylpyrazolo[1,5-a]pyrimidine
Smiles: Cc1ccc(c(c1)C)CN1CCN(CC1)c1cc(nc2n1ncc2c1ccccc1)C(C)(C)C
STK573121
Synonyms: (1'S,3R,3'S,7a'S)-1'-[(2-chlorophenyl)carbonyl]-5''-methyl-5',6',7',7a'-tetrahydro-1'H-dispiro[indole-3,2'-pyrrolizine-3',3''-indole]-2,2''(1H,1''H)-dione
Smiles: Cc1ccc2c(c1)[C@]1(C(=O)N2)N2CCC[C@H]2[C@H]([C@@]21C(=O)Nc1c2cccc1)C(=O)c1ccccc1Cl
STK573122
Synonyms: N-tert-butyl-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)acetamide
Smiles: O=C(NC(C)(C)C)CN1CCc2c(C1)cc1c(c2)OCCCO1
STK847960
Synonyms: 3-(2-chlorophenyl)-5-methyl-7-(morpholin-4-yl)pyrazolo[1,5-a]pyrimidine
Smiles: Cc1cc(N2CCOCC2)n2c(n1)c(cn2)c1ccccc1Cl
STK573127
Synonyms: 5-[(2-chloro-4-fluorobenzyl)oxy]-2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]phenol
Smiles: COc1cc(ccc1OC)c1c[nH]nc1c1ccc(cc1O)OCc1ccc(cc1Cl)F
STK573128
Synonyms: 1-amino-N-(2-chlorophenyl)-8,8-dimethyl-5-(pyrrolidin-1-yl)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxamide
Smiles: O=C(c1sc2c(c1N)c1CC(C)(C)OCc1c(n2)N1CCCC1)Nc1ccccc1Cl
STK573129
Synonyms: 3-(4-methoxybenzyl)-2-(4-methoxyphenyl)-10-methylpyrimido[4,5-b]quinoline-4,5(3H,10H)-dione
Smiles: COc1ccc(cc1)Cn1c(nc2c(c1=O)c(=O)c1c(n2C)cccc1)c1ccc(cc1)OC
STK847964
Synonyms: 8-[benzyl(methyl)amino]-7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OC(Cn1c(nc2c1c(=O)n(C)c(=O)n2C)N(Cc1ccccc1)C)COc1ccccc1
STK573131
Synonyms: 2-({5-[(1S)-1-amino-3-(methylsulfanyl)propyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-(3-chlorophenyl)acetamide
Smiles: CSCC[C@@H](c1nnc(o1)SCC(=O)Nc1cccc(c1)Cl)N
STK573133
Synonyms: 5-(4-chlorobenzyl)-4-hydroxy-6-methyl-2-phenyl-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one
Smiles: Clc1ccc(cc1)Cc1c(C)nc2c(c1O)c(=O)n([nH]2)c1ccccc1
STK573135
Synonyms: 7-chloro-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-(4-nitrophenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CC(Cc1nnc(s1)N1C(=O)c2c(C1c1ccc(cc1)[N+](=O)[O-])c(=O)c1c(o2)ccc(c1)Cl)C
STK847965
Synonyms: N-(3-ethoxypropyl)-1,7-dimethyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: CCOCCCNC(=O)c1cc2c(n1C)nc1n(c2=O)cc(cc1)C
STK573140
Synonyms: 5-(5-chloro-2-hydroxyphenyl)-N-{3-[(2-methoxyethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-1H-pyrazole-3-carboxamide
Smiles: COCCNC(=O)c1c(NC(=O)c2n[nH]c(c2)c2cc(Cl)ccc2O)sc2c1CCCC2
STK573141
Synonyms: 2-(4-fluorophenyl)-12-(furan-2-yl)-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
Smiles: Fc1ccc(cc1)c1nc2n(n1)cnc1c2C(c2ccco2)C2=C(O1)CCCC2=O
STK573142
Synonyms: 6-[2-(2,4-dichlorophenoxy)ethyl]-9-methoxy-6H-indolo[2,3-b]quinoxaline
Smiles: COc1ccc2c(c1)c1nc3ccccc3nc1n2CCOc1ccc(cc1Cl)Cl
STK573144
Synonyms: 7-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-2-(prop-2-yn-1-ylsulfanyl)-5,6-dihydropyrido[2,3-d]pyrimidin-4(3H)-one
Smiles: C#CCSc1nc2N=C(O)CC(c2c(=O)[nH]1)c1ccc(c(c1)OC)O
STK573148
Synonyms: 8-(4-ethylpiperazin-1-yl)-6-hydroxy-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: CCN1CCN(CC1)c1nc2c(n1CC(COc1cccc(c1)C)O)c(O)nc(=O)n2C
STK573154
Synonyms: methyl5-[1-amino-8,8-dimethyl-5-(pyrrolidin-1-yl)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridin-2-yl]furan-2-carboxylate
Smiles: COC(=O)c1ccc(o1)c1sc2c(c1N)c1CC(C)(C)OCc1c(n2)N1CCCC1
STK573162
Synonyms: 4-[(2-hydroxy-2-phenylethyl)amino]-1-methyl-3-nitroquinolin-2(1H)-one
Smiles: OC(c1ccccc1)CNc1c2ccccc2n(c(=O)c1[N+](=O)[O-])C
STK573169
Synonyms: 8,9-di(furan-2-yl)furo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: c1coc(c1)c1c(oc2c1c1ncnn1cn2)c1ccco1
STK573170
Synonyms: 6-amino-1-(4-fluorobenzyl)-4-hydroxypyrimidin-2(1H)-one
Smiles: Fc1ccc(cc1)Cn1c(N)cc(nc1=O)O
STK573172
Synonyms: 7-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonyl)-2-phenyl-2,3-dihydro-1H-isoindol-1-one
Smiles: O=C(c1cccc2c1C(=O)N(C2)c1ccccc1)N1CCC2(CC1)OCCO2
STK573175
Synonyms: 2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-6-(4-methoxyphenyl)pyrimidin-4-ol
Smiles: CCc1ccc2c(c1)c(C)nc(n2)Nc1nc(O)cc(n1)c1ccc(cc1)OC
STK847969
Synonyms: 5-tert-butyl-3-(4-chlorophenyl)-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: COCCNc1cc(nc2n1ncc2c1ccc(cc1)Cl)C(C)(C)C
STK573177
Synonyms: (3S)-N-[2-(cyclohexylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Smiles: O=C(NC1CCCCC1)CNC(=O)[C@H]1NCc2c(C1)cccc2
STK573178
Synonyms: 3-benzyl-8-methoxy-2-methyl-4H-chromeno[2,3-d]pyrimidine-4,5(3H)-dione
Smiles: COc1ccc2c(c1)oc1c(c2=O)c(=O)n(c(n1)C)Cc1ccccc1
STK573183
Synonyms: 5-tert-butyl-7-[4-(3-chlorophenyl)piperazin-1-yl]-3-phenylpyrazolo[1,5-a]pyrimidine
Smiles: Clc1cccc(c1)N1CCN(CC1)c1cc(nc2n1ncc2c1ccccc1)C(C)(C)C
STK847971
Synonyms: ethyl5-cyano-6-[(2-ethoxy-2-oxoethyl)sulfanyl]-4-(2-ethoxyphenyl)-2-hydroxy-3,4-dihydropyridine-3-carboxylate
Smiles: CCOC(=O)CSC1=C(C#N)C(C(C(=N1)O)C(=O)OCC)c1ccccc1OCC
STK573186
Synonyms: N'-(5-tert-butyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-N,N-dimethylpropane-1,3-diamine
Smiles: CN(CCCNc1cc(nc2n1ncc2c1ccccc1)C(C)(C)C)C
STK847972
Synonyms: 6-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-ol
Smiles: COc1ccc(cc1)c1cc(O)nc(n1)N1CCN(CC1)c1ccccc1
STK573187
Synonyms: 2-methoxy-N-(7-methoxy-2,3-dihydro-1H-pyrrolo[2,3-b]quinolin-1-yl)benzamide
Smiles: COc1ccc2c(c1)nc1c(c2)CCN1NC(=O)c1ccccc1OC
STK573189
Synonyms: methylN-{[3-(1,3-benzoxazol-2-yl)phenyl]carbamoyl}-L-alaninate
Smiles: COC(=O)[C@@H](NC(=O)Nc1cccc(c1)c1nc2c(o1)cccc2)C
STK573193
Synonyms: 5-(3-chloro-4-methylbenzyl)-2-imino-2,5-dihydro-1,3-thiazol-4-ol
Smiles: N=C1N=C(C(S1)Cc1ccc(c(c1)Cl)C)O
STK573195
Synonyms: N-(3-chlorophenyl)-4-(4-oxoquinazolin-3(4H)-yl)butanamide
Smiles: O=C(Nc1cccc(c1)Cl)CCCn1cnc2c(c1=O)cccc2
STK847974
Synonyms: 5-methyl-3-phenyl-6-(prop-2-en-1-yl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: C=CCc1c(C)nc2n(c1NCc1ccccn1)ncc2c1ccccc1
STK573197
Synonyms: ethyl4-{[6-methyl-2-(morpholin-4-yl)-5-nitropyrimidin-4-yl]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)Nc1nc(nc(c1[N+](=O)[O-])C)N1CCOCC1
STK847976
Synonyms: propyl4-({7-[(2-methylpropanoyl)oxy]-4-oxo-4H-chromen-3-yl}oxy)benzoate
Smiles: CCCOC(=O)c1ccc(cc1)Oc1coc2c(c1=O)ccc(c2)OC(=O)C(C)C
STK847977
Synonyms: (2Z)-2-(2,4-dimethoxybenzylidene)-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-ylmorpholine-4-carboxylate
Smiles: COc1cc(OC)ccc1/C=C/1\Oc2c(C1=O)ccc(c2C)OC(=O)N1CCOCC1
STK573208
Synonyms: (2S)-N-(4-acetylphenyl)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide
Smiles: CC([C@H](n1nnc2c(c1=O)cccc2)C(=O)Nc1ccc(cc1)C(=O)C)C
STK573210
Synonyms: 3-[(2-fluorobenzyl)oxy]-1-hydroxy-5-methyl-9H-xanthen-9-one
Smiles: Fc1ccccc1COc1cc(O)c2c(c1)oc1c(c2=O)cccc1C
STK847979
Synonyms: 3-(4-chlorophenyl)-5-methyl-7-(4-phenylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
Smiles: Clc1ccc(cc1)c1cnn2c1nc(C)cc2N1CCN(CC1)c1ccccc1
STK573212
Synonyms: (5Z)-5-[(2E)-3-(1,3-benzodioxol-5-yl)-1-hydroxyprop-2-en-1-ylidene]-6-hydroxy-3-(3-methoxypropyl)pyrimidine-2,4(3H,5H)-dione
Smiles: COCCCN1C(=O)N=C(/C(=C(\C=C\c2ccc3c(c2)OCO3)/O)/C1=O)O
STK847980
Synonyms: N'-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N,N-dimethylbenzene-1,4-diamine
Smiles: CN(c1ccc(cc1)Nc1ncnc2c1oc1c2cccc1)C
STK573215
Synonyms: 1-benzyl-N-(2-methoxy-5-methylphenyl)-9-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: COc1ccc(cc1NC(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cccc1C)C
STK847981
Synonyms: 3-(2-methoxyphenyl)-5-methyl-N-[3-(morpholin-4-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: COc1ccccc1c1cnn2c1nc(C)cc2NCCCN1CCOCC1
STK573222
Synonyms: 1-[2-(3,4-dimethoxyphenyl)ethyl]-6-(prop-2-en-1-yl)-2-sulfanyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: C=CCN1CNc2c(C1)c(=O)nc(n2CCc1ccc(c(c1)OC)OC)S
STK573225
Synonyms: 3-[(E)-(2-benzylhydrazinylidene)methyl]-8-methylquinolin-2-ol
Smiles: Oc1nc2c(cc1/C=N/NCc1ccccc1)cccc2C
STK573228
Synonyms: 4-(3-ethoxyphenyl)-3-(2-hydroxy-3,5-dimethylphenyl)-5-(2-hydroxyethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: OCCN1C(=O)c2c(C1c1cccc(c1)OCC)c([nH]n2)c1cc(C)cc(c1O)C
STK847983
Synonyms: methyl4-[(2E)-2-(5-cyano-6-hydroxy-4-methyl-2-oxopyridin-3(2H)-ylidene)hydrazinyl]benzoate
Smiles: COC(=O)c1ccc(cc1)N/N=C\1/C(=O)N=C(C(=C1C)C#N)O
STK573242
Synonyms: 2-{(E)-[(2E)-(4,6-dimethylpyrimidin-2(1H)-ylidene)hydrazinylidene]methyl}-3-hydroxy-5-(4-methylphenyl)cyclohex-2-en-1-one
Smiles: Cc1ccc(cc1)C1CC(=C(C(=O)C1)/C=N/N=c\1/nc(C)cc([nH]1)C)O
STK573246
Synonyms: N-(4-acetylphenyl)-2-{[3-cyano-6-(3,4-dimethoxyphenyl)pyridin-2-yl]sulfanyl}acetamide
Smiles: N#Cc1ccc(nc1SCC(=O)Nc1ccc(cc1)C(=O)C)c1ccc(c(c1)OC)OC
STK847984
Synonyms: 2-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1H-isoindol-1-imine
Smiles: COc1ccc(cc1N1Cc2c(C1=N)cccc2)Cl
STK847985
Synonyms: 2-(furan-2-yl)-7-(3-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Cc1cccc(c1)n1ncc2c1ncn1c2nc(n1)c1ccco1
STK573248
Synonyms: N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)-2-propoxybenzamide
Smiles: CCCOc1ccccc1C(=O)N(C1CCS(=O)(=O)C1)Cc1ccc(cc1)F
STK573249
Synonyms: N-[3-(2-methoxyphenyl)-1-methyl-4-oxo-1,4-dihydroquinolin-2-yl]propanamide
Smiles: CCC(=O)Nc1c(c2ccccc2OC)c(=O)c2c(n1C)cccc2
STK573251
Synonyms: 1-(2,5-dimethylphenyl)-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxylicacid
Smiles: Cc1ccc(cc1N1N=C(CCC1=O)C(=O)O)C
STK573258
Synonyms: 5-[4-(dimethylamino)phenyl]-4-{[(E)-(3-methylthiophen-2-yl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CN(c1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1sccc1C)C
STK573259
Synonyms: N-(3-chloro-4-fluorophenyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
Smiles: Cc1cc(C)n2c(n1)nc(n2)C(=O)Nc1ccc(c(c1)Cl)F
STK573267
Synonyms: N-(3-methoxyphenyl)-2-methyl-3-phenyl-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: CCCc1cc(Nc2cccc(c2)OC)n2c(n1)c(c1ccccc1)c(n2)C
STK573271
Synonyms: 7-chloro-1-(4-ethoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-6-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CCOc1ccc(cc1)C1N(CCc2ccc(cc2)OC)C(=O)c2c1c(=O)c1c(o2)cc(c(c1)Cl)C
STK573274
Synonyms: 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-(2-hydroxy-3,5-dimethylphenyl)-5-(3-hydroxypropyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: OCCCN1C(=O)c2c(C1c1cc(Br)c(c(c1)OC)O)c([nH]n2)c1cc(C)cc(c1O)C
STK573275
Synonyms: 3-(9-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)propanoicacid
Smiles: CC1CCc2c(C1)sc1c2c2nc(nn2cn1)CCC(=O)O
STK573280
Synonyms: (5Z)-5-[4-(dimethylamino)benzylidene]-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Smiles: N#CC1=C(C)/C(=C/c2ccc(cc2)N(C)C)/C(=O)N(C1=O)C1CCS(=O)(=O)C1
STK573284
Synonyms: (2'S,3R,7a'S)-5-fluoro-N-(4-methoxyphenyl)-2-oxo-1,1',2,2',5',6',7',7a'-octahydrospiro[indole-3,3'-pyrrolizine]-2'-carboxamide
Smiles: COc1ccc(cc1)NC(=O)[C@H]1C[C@H]2N([C@@]31C(=O)Nc1c3cc(F)cc1)CCC2
STK847990
Synonyms: methylN-[(1-benzyl-7-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidin-2-yl)carbonyl]glycinate
Smiles: COC(=O)CNC(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cc(cc1)C
STK573285
Synonyms: N-[(3Z)-1-ethyl-7-methyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]benzenesulfonamide
Smiles: CCn1[nH]/c(=N\S(=O)(=O)c2ccccc2)/c2c1nc1cc(C)ccc1c2
STK573287
Synonyms: (1R,4aS,8aS)-2-(2-fluorobenzyl)-1-(4-hydroxy-3-methoxyphenyl)octahydroisoquinolin-4a(2H)-ol
Smiles: COc1cc(ccc1O)[C@@H]1N(CC[C@@]2([C@H]1CCCC2)O)Cc1ccccc1F
STK847991
Synonyms: N-(4-bromophenyl)-6-ethoxy-2-methylquinolin-4-amine
Smiles: CCOc1ccc2c(c1)c(Nc1ccc(cc1)Br)cc(n2)C
STK573295
Synonyms: 6-amino-2-[(4-phenoxyphenyl)amino]pyrimidin-4-ol
Smiles: Nc1nc(Nc2ccc(cc2)Oc2ccccc2)nc(c1)O
STK573296
Synonyms: 8-methoxy-2,2-dimethyl-5-(propan-2-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidine
Smiles: COc1ncnc2c1oc1c2c2CC(C)(C)OCc2c(n1)C(C)C
STK573303
Synonyms: 6-[(5E)-5-(3,4-dihydroxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoicacid
Smiles: OC(=O)CCCCCN1C(=S)S/C(=C/c2ccc(c(c2)O)O)/C1=O
STK847995
Synonyms: 1-benzyl-N-(2-chlorobenzyl)-9-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: Clc1ccccc1CNC(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cccc1C
STK573306
Synonyms: 7-(4-fluorobenzyl)-3,4-dihydro-2H-[1,3]thiazino[3',2':1,2]pyrimido[5,4-b]indol-6(7H)-one
Smiles: Fc1ccc(cc1)Cn1c2ccccc2c2c1c(=O)n1CCCSc1n2
STK573308
Synonyms: 2-[(4-ethylpiperazin-1-yl)carbonyl]-1-(3-methoxypropyl)-9-methylpyrido[1,2-a]pyrrolo[2,3-d]pyrimidin-4(1H)-one
Smiles: COCCCn1c(cc2c1nc1c(C)cccn1c2=O)C(=O)N1CCN(CC1)CC
STK573310
Synonyms: 7-chloro-3'-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-6'-hydroxy-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4'(3'H)-dione
Smiles: CCN1CCN2C(C1)C1(Cc3c2cccc3Cl)C(=NC(=O)N(C1=O)CCc1ccc(c(c1)OC)OC)O
STK573313
Synonyms: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(4-methoxyphenyl)pyrimidin-4-ol
Smiles: COc1ccc(cc1)c1cc(O)nc(n1)N1CCN(CC1)Cc1ccc2c(c1)OCO2
STK573314
Synonyms: 4-amino-N-(2-chlorobenzyl)-3-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
Smiles: O=C(c1sc(=S)n(c1N)C)NCc1ccccc1Cl
STK573320
Synonyms: N-ethyl-4-methoxy-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzenesulfonamide
Smiles: CCN(S(=O)(=O)c1ccc(cc1)OC)Cc1cc2ccccc2[nH]c1=O
STK573322
Synonyms: N-(4-methoxyphenyl)-5,6-dimethyl-7-(pyridin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Smiles: COc1ccc(cc1)Nc1ncnc2c1c(C)c(n2c1cccnc1)C
STK847997
Synonyms: (2Z)-2-(4-methylbenzylidene)-6-(2-oxopropoxy)-1-benzofuran-3(2H)-one
Smiles: CC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(cc1)C)/C2=O
STK573323
Synonyms: N-cyclopentyl-3-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]propanamide
Smiles: O=C(NC1CCCC1)CCN1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1
STK573328
Synonyms: 3-(1H-benzimidazol-2-yl)-N-(3-methoxybenzyl)propanamide
Smiles: COc1cccc(c1)CNC(=O)CCc1nc2c([nH]1)cccc2
STK573330
Synonyms: 2-(bicyclo[2.2.1]hept-2-yl)-4,6-dimethylcyclohexanol
Smiles: CC1CC(C)C(C(C1)C1CC2CC1CC2)O
STK573337
Synonyms: N-(3-ethoxypropyl)-4-(2-methylpropyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-amine
Smiles: CCOCCCNc1ncnc2c1sc1c2c2CCCc2c(n1)CC(C)C
STK573340
Synonyms: 8-(4-ethylphenyl)-4-hydroxy-1,6,7-trimethyl-1H-imidazo[2,1-f]purin-2(8H)-one
Smiles: CCc1ccc(cc1)n1c2nc3c(n2c(c1C)C)c(O)nc(=O)n3C
STK573344
Synonyms: [(2E)-4-hydroxy-2-{(2E)-[(3-methylthiophen-2-yl)methylidene]hydrazinylidene}-2,5-dihydro-1,3-thiazol-5-yl]aceticacid
Smiles: OC(=O)CC1S/C(=N/N=C/c2sccc2C)/N=C1O
STK573345
Synonyms: 3-(furan-2-ylmethyl)-8-methoxy-2-propyl-4H-chromeno[2,3-d]pyrimidine-4,5(3H)-dione
Smiles: CCCc1nc2oc3cc(OC)ccc3c(=O)c2c(=O)n1Cc1ccco1
STK848002
Synonyms: 8-(3-chlorophenyl)-1-methyl-3-(prop-2-en-1-yl)-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
Smiles: C=CCn1c(=O)n(C)c2c(c1=O)n1CCN(c1n2)c1cccc(c1)Cl
STK573351
Synonyms: (5Z)-5-[1-acetyl-5-(thiophen-2-yl)pyrazolidin-3-ylidene]-1-benzylpyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: O=C1NC(=O)/C(=C\2/NN(C(C2)c2cccs2)C(=O)C)/C(=O)N1Cc1ccccc1
STK573354
Synonyms: 5,6-dimethyl-N-(pyridin-3-yl)furo[2,3-d]pyrimidin-4-amine
Smiles: Cc1oc2c(c1C)c(ncn2)Nc1cccnc1
STK573355
Synonyms: (2Z)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene)-1-(4-fluorophenyl)ethanone
Smiles: COc1cc2/C(=C/C(=O)c3ccc(cc3)F)/NCCc2cc1OC
STK848005
Synonyms: N-[(2Z)-5-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-1,3,4-thiadiazol-2(3H)-ylidene]-2-methoxybenzamide
Smiles: COc1cc(CCNC(=O)CSc2n[nH]/c(=N/C(=O)c3ccccc3OC)/s2)ccc1OC
STK573358
Synonyms: 2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]-5-[(2,6-dichlorobenzyl)oxy]phenol
Smiles: Clc1ccc(cc1)c1cnc(nc1c1ccc(cc1O)OCc1c(Cl)cccc1Cl)N
STK573360
Synonyms: 2-sulfanyl-4-(trifluoromethyl)-5,6-dihydrofuro[2,3-h]quinoline-3-carbonitrile
Smiles: N#Cc1c(S)nc2c(c1C(F)(F)F)CCc1c2cco1
STK573361
Synonyms: 4-(2,5-dimethoxyphenyl)-5-(1H-pyrazol-5-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1ccc(cc1n1c(=S)[nH]nc1c1ccn[nH]1)OC
STK573364
Synonyms: N-(3-bromobenzyl)-4-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-nitrobenzamide
Smiles: Brc1cccc(c1)CN(C(=O)c1ccc(c(c1)[N+](=O)[O-])Cl)C1CCS(=O)(=O)C1
STK573366
Synonyms: 5-(4-fluorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Smiles: Fc1ccc(cc1)c1cc(O)n2c(n1)ncn2
STK573368
Synonyms: N-[4-(1H-indol-3-yl)butanoyl]valine
Smiles: O=C(NC(C(=O)O)C(C)C)CCCc1c[nH]c2c1cccc2
STK573370
Synonyms: 8-chloro-N-[2-(piperidin-1-yl)ethyl]-5H-pyrimido[5,4-b]indol-4-amine
Smiles: Clc1ccc2c(c1)c1ncnc(c1[nH]2)NCCN1CCCCC1
STK573372
Synonyms: N-[(2Z)-3-(1,3-benzodioxol-5-yl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-3,3-dimethylbutanamide
Smiles: O=C(CC(C)(C)C)/N=C/1\SC2C(N1c1ccc3c(c1)OCO3)CS(=O)(=O)C2
STK573377
Synonyms: (5E)-5-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-4-one
Smiles: CC1Oc2c(C1)cc(cc2)/C=C\1/SC(=S)N(C1=O)CCc1ccccc1
STK573378
Synonyms: 1-[(4-methylphenyl)sulfonyl]-N-{(2S)-1-oxo-1-[(2-phenylethyl)amino]propan-2-yl}piperidine-4-carboxamide
Smiles: O=C([C@@H](NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)C)C)NCCc1ccccc1
STK573379
Synonyms: 6-amino-1-(pyridin-3-ylmethyl)-2-sulfanylpyrimidin-4(1H)-one
Smiles: O=c1cc(N)n(c(n1)S)Cc1cccnc1
STK573382
Synonyms: 1-(4-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1ccc(cc1OC)CCN1C(=O)c2c(C1c1ccc(cc1)Cl)c(=O)c1c(o2)c(C)cc(c1)C
STK848011
Synonyms: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide
Smiles: O=C(Nc1ccc2c(c1)OCCO2)CCCn1nnc2c(c1=O)cccc2
STK573383
Synonyms: N-[(2Z)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-ethylbutanamide
Smiles: CCC(C(=O)/N=C/1\SC2C(N1c1ccc3c(c1)OCCO3)CS(=O)(=O)C2)CC
STK573386
Synonyms: 6-(2-hydroxyethyl)-2,5-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Smiles: OCCc1c(C)nc2n(c1O)nc(n2)C
STK573387
Synonyms: 2-(ethylsulfanyl)-9-(4-methoxyphenyl)-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: CCSc1nc2n(n1)C(c1ccc(cc1)OC)C1=C(O)CC(CC1=N2)(C)C
STK848013
Synonyms: 1-benzyl-7-methyl-N-(4-methylphenyl)-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: Cc1ccc(cc1)NC(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cc(cc1)C
STK573390
Synonyms: 2-(naphthalen-1-yl)-5-(pyrrolidin-1-yl)-1,3-oxazole-4-carbonitrile
Smiles: N#Cc1nc(oc1N1CCCC1)c1cccc2c1cccc2
STK573394
Synonyms: 4-[(2E)-2-(quinoxalin-5-ylmethylidene)hydrazinyl]benzoicacid
Smiles: OC(=O)c1ccc(cc1)N/N=C/c1cccc2c1nccn2
STK848014
Synonyms: 8-(2-ethylphenyl)-3-(2-methoxyethyl)-1,6,7-trimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: COCCn1c(=O)n(C)c2c(c1=O)n1c(n2)n(c(c1C)C)c1ccccc1CC
STK573405
Synonyms: 2-[4-(3-methoxyphenoxy)-3-methyl-1H-pyrazol-5-yl]-5-[(4-nitrobenzyl)oxy]phenol
Smiles: COc1cccc(c1)Oc1c(C)n[nH]c1c1ccc(cc1O)OCc1ccc(cc1)[N+](=O)[O-]
STK573406
Synonyms: 1-(3-hydroxyphenyl)-5,7-dimethyl-2-(pyridin-3-ylmethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Oc1cccc(c1)C1N(Cc2cccnc2)C(=O)c2c1c(=O)c1c(o2)c(C)cc(c1)C
STK573409
Synonyms: N-[(3-hydroxyquinoxalin-1(2H)-yl)carbonyl]glycylglycine
Smiles: O=C(NCC(=O)O)CNC(=O)N1CC(=Nc2c1cccc2)O
STK848016
Synonyms: 2-methyl-3-phenyl-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine
Smiles: Cc1nn2c(c1c1ccccc1)nc1c(c2NCc2cccnc2)CCCC1
STK573410
Synonyms: N-(4-acetylphenyl)-2-(4-oxoquinazolin-3(4H)-yl)butanamide
Smiles: CCC(n1cnc2c(c1=O)cccc2)C(=O)Nc1ccc(cc1)C(=O)C
STK573411
Synonyms: 1-(2-methoxyphenyl)-2-{[4-methyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Smiles: COc1ccccc1C(=O)CSc1nnc(n1C)c1cccc(c1)C
STK573417
Synonyms: N-(furan-2-ylmethyl)-6-methoxy-1H-indole-2-carboxamide
Smiles: COc1ccc2c(c1)[nH]c(c2)C(=O)NCc1ccco1
STK573420
Synonyms: 1-{N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-valyl}piperidine-4-carboxylicacid
Smiles: Clc1ccc2c(c1)cc(n2C)C(=O)N[C@H](C(=O)N1CCC(CC1)C(=O)O)C(C)C
STK573421
Synonyms: 1-(2-fluorophenyl)-2-[2-(4-methoxyphenyl)ethyl]-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1ccc(cc1)CCN1C(=O)c2c(C1c1ccccc1F)c(=O)c1c(o2)c(C)cc(c1)C
STK573423
Synonyms: 4-chloro-5-[(2E)-2-(4-hydroxy-3-nitrobenzylidene)hydrazinyl]pyridazin-3-ol
Smiles: Clc1c(N/N=C/c2ccc(c(c2)[N+](=O)[O-])O)cnnc1O
STK573427
Synonyms: 4-[5-(2,3-dichlorophenyl)-4-phenyl-1H-imidazol-2-yl]benzoicacid
Smiles: OC(=O)c1ccc(cc1)c1[nH]c(c(n1)c1ccccc1)c1cccc(c1Cl)Cl
STK573428
Synonyms: (5Z)-3-(2-methoxyethyl)-5-({3-[2-methyl-4-(propan-2-yloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: COCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2C)OC(C)C)c2ccccc2)/C1=O
STK848020
Synonyms: 3-phenyl-7-(4-phenylpiperazin-1-yl)-5-propylpyrazolo[1,5-a]pyrimidine
Smiles: CCCc1cc(N2CCN(CC2)c2ccccc2)n2c(n1)c(cn2)c1ccccc1
STK573429
Synonyms: 2,3-dihydro-1H-indol-1-yl(4,5,6-trimethoxy-1H-indol-2-yl)methanone
Smiles: COc1cc2[nH]c(cc2c(c1OC)OC)C(=O)N1CCc2c1cccc2
STK573430
Synonyms: N-(4-chlorophenyl)-2-[(2E)-4-hydroxy-2-{[3-(trifluoromethyl)phenyl]imino}-2,5-dihydro-1,3-thiazol-5-yl]acetamide
Smiles: O=C(CC1S/C(=N/c2cccc(c2)C(F)(F)F)/N=C1O)Nc1ccc(cc1)Cl
STK848021
Synonyms: N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-oxo-N-[4-(propan-2-yl)benzyl]-4H-chromene-2-carboxamide
Smiles: O=C(N(C1CCS(=O)(=O)C1)Cc1ccc(cc1)C(C)C)c1cc(=O)c2c(o1)cccc2
STK573437
Synonyms: N-(2-phenylethyl)-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide
Smiles: O=C(c1[nH]nc2c1CCCC2)NCCc1ccccc1
STK573440
Synonyms: (3aR,6aS)-3-(3,4-dimethoxyphenyl)-5-(naphthalen-1-yl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: COc1cc(ccc1OC)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1cccc2c1cccc2
STK573447
Synonyms: 2-(4-methyl-1-oxophthalazin-2(1H)-yl)-N-{1-methyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazol-5-yl}acetamide
Smiles: O=C(Cn1nc(C)c2c(c1=O)cccc2)Nc1ccc2c(c1)nc(n2C)CCN1CCN(CC1)c1ccccc1
STK573451
Synonyms: N-[benzyl(methyl)carbamoyl]-L-phenylalanine
Smiles: OC(=O)[C@@H](NC(=O)N(Cc1ccccc1)C)Cc1ccccc1
STK848024
Synonyms: 8-(3-chloro-2-methylphenyl)-3-(2-methoxyethyl)-1,6,7-trimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: COCCn1c(=O)n(C)c2c(c1=O)n1c(n2)n(c(c1C)C)c1cccc(c1C)Cl
STK573461
Synonyms: 3-(4-chlorophenoxy)-5-(propan-2-ylamino)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Smiles: CC(Nc1cc(Oc2ccc(cc2)Cl)c2c3c1C(=O)c1ccccc1c3on2)C
STK573464
Synonyms: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl](5,6-dimethoxy-1H-indol-2-yl)methanone
Smiles: COc1cc2[nH]c(cc2cc1OC)C(=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2
STK573466
Synonyms: 2-(4-ethoxyquinazolin-2-yl)-6-methoxyphenol
Smiles: CCOc1nc(nc2c1cccc2)c1cccc(c1O)OC
STK573468
Synonyms: tert-butyl{6-oxo-6-[(2E)-2-(quinoxalin-6-ylmethylidene)hydrazinyl]hexyl}carbamate
Smiles: O=C(N/N=C/c1ccc2c(c1)nccn2)CCCCCNC(=O)OC(C)(C)C
STK573469
Synonyms: 5-chloro-N-methyl-N-(1-methylpiperidin-4-yl)-1H-indole-2-carboxamide
Smiles: CN1CCC(CC1)N(C(=O)c1cc2c([nH]1)ccc(c2)Cl)C
STK848027
Synonyms: N-[4-(azepan-1-ylsulfonyl)phenyl]-6,8-dimethyl-4-oxo-4H-chromene-2-carboxamide
Smiles: Cc1cc(C)c2c(c1)c(=O)cc(o2)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCCCC1
STK573470
Synonyms: N-{[(3R)-2,2-dimethyl-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindol-3-yl]carbonyl}-L-alanyl-N-benzyl-L-valinamide
Smiles: O=C([C@@H](NC(=O)[C@H]1N2C(SC1(C)C)c1c(C2=O)cccc1)C)N[C@H](C(=O)NCc1ccccc1)C(C)C
STK573471
Synonyms: methyl2-{4-[(4-fluorophenyl)carbonyl]-1,3-dioxooctahydropyrrolo[3,4-a]pyrrolizin-2(3H)-yl}benzoate
Smiles: COC(=O)c1ccccc1N1C(=O)C2C(C1=O)C(N1C2CCC1)C(=O)c1ccc(cc1)F
STK573472
Synonyms: N-[(4-methoxyphenyl)carbamoyl]-L-methionine
Smiles: CSCC[C@@H](C(=O)O)NC(=O)Nc1ccc(cc1)OC
STK573473
Synonyms: 6-methoxy-N-(naphthalen-1-yl)-1H-indole-2-carboxamide
Smiles: COc1ccc2c(c1)[nH]c(c2)C(=O)Nc1cccc2c1cccc2
STK848029
Synonyms: 4-(4-chlorophenyl)-3-(2-hydroxyphenyl)-5-(2-methoxyethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COCCN1C(=O)c2c(C1c1ccc(cc1)Cl)c([nH]n2)c1ccccc1O
STK573475
Synonyms: (5E)-5-({[4-(diethylamino)phenyl]amino}methylidene)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-hydroxypyrimidine-4,6(1H,5H)-dione
Smiles: CCN(c1ccc(cc1)N/C=C/1\C(=O)N=C(N(C1=O)CCc1ccc(c(c1)OC)OC)O)CC
STK573477
Synonyms: 2-(4-methoxybenzyl)-12-phenyl-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
Smiles: COc1ccc(cc1)Cc1nc2n(n1)cnc1c2C(c2ccccc2)C2=C(O1)CCCC2=O
STK573482
Synonyms: (2R)-{[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]amino}(phenyl)ethanoicacid
Smiles: OC(=O)[C@@H](c1ccccc1)NC(=O)c1cc2c(n1C)ccc(c2)Cl
STK573484
Synonyms: 1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone
Smiles: COc1cc2CN(CCc2cc1OC)C(=O)CSc1nncn1c1ccccc1
STK573485
Synonyms: tert-butyl(3S)-3-[(2-methoxybenzyl)carbamoyl]-3,4-dihydroisoquinoline-2(1H)-carboxylate
Smiles: COc1ccccc1CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C
STK573488
Synonyms: N-[(1S)-3-(methylsulfanyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1-(phenylcarbonyl)piperidine-4-carboxamide
Smiles: CSCC[C@@H](c1nnc2n1cccc2)NC(=O)C1CCN(CC1)C(=O)c1ccccc1
STK848031
Synonyms: 1-benzyl-2-[(4-phenylpiperazin-1-yl)carbonyl]pyrido[1,2-a]pyrrolo[2,3-d]pyrimidin-4(1H)-one
Smiles: O=c1c2cc(n(c2nc2n1cccc2)Cc1ccccc1)C(=O)N1CCN(CC1)c1ccccc1
STK573493
Synonyms: 5-{[(2Z)-3-(1,3-benzodioxol-5-ylmethyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-5-oxopentanoicacid
Smiles: OC(=O)CCCC(=O)/N=C/1\SC2C(N1Cc1ccc3c(c1)OCO3)CS(=O)(=O)C2
STK573494
Synonyms: (4Z)-2-(4-bromophenyl)-4-(3,4-dimethoxybenzylidene)-4H-imidazol-5-ol
Smiles: COc1cc(ccc1OC)/C=C/1\N=C(N=C1O)c1ccc(cc1)Br
STK573496
Synonyms: 2-(2-hydroxyethyl)-1-phenyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: OCCN1C(=O)c2c(C1c1ccccc1)c(=O)c1c(o2)cccc1
STK573497
Synonyms: N'-[3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylethane-1,2-diamine
Smiles: COc1ccccc1c1cnn2c1nc(C)cc2NCCN(C)C
STK573499
Synonyms: 4-[2-({(1E)-1-[4-hydroxy-2,6-dioxo-1-(prop-2-en-1-yl)-1,6-dihydropyrimidin-5(2H)-ylidene]propyl}amino)ethyl]-N-methylpiperazine-1-carbothioamide
Smiles: C=CCN1C(=O)N=C(/C(=C(\NCCN2CCN(CC2)C(=S)NC)/CC)/C1=O)O
STK573500
Synonyms: 2-hydroxy-4-[(5Z)-5-(1H-indol-3-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoicacid
Smiles: S=C1S/C(=C\c2c[nH]c3c2cccc3)/C(=O)N1c1ccc(c(c1)O)C(=O)O
STK573501
Synonyms: N-[(3E)-1-butyl-7-methyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]-4-methoxybenzenesulfonamide
Smiles: CCCCn1[nH]/c(=N/S(=O)(=O)c2ccc(cc2)OC)/c2c1nc1cc(C)ccc1c2
STK573503
Synonyms: 4-({[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}methyl)cyclohexanecarboxylicacid
Smiles: O=C(CCn1nnc2c(c1=O)cccc2)NCC1CCC(CC1)C(=O)O
STK573514
Synonyms: 8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-7-{2-[(4-methylpyrimidin-2-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCN1CCN(CC1)c1nc2c(n1CCSc1nccc(n1)C)c(=O)n(c(=O)n2C)C
STK573517
Synonyms: N-({3-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]phenyl}carbonyl)-D-methionine
Smiles: CSCC[C@H](C(=O)O)NC(=O)c1cccc(c1)N1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1
STK573521
Synonyms: 3-(2-hydroxyphenyl)-4,6-dioxo-5-phenyloctahydropyrrolo[3,4-c]pyrrole-1-carboxylicacid
Smiles: O=C1N(c2ccccc2)C(=O)C2C1C(NC2c1ccccc1O)C(=O)O
STK848038
Synonyms: 5-butyl-4-(3,4-dimethoxyphenyl)-3-(2-hydroxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: CCCCN1C(=O)c2c(C1c1ccc(c(c1)OC)OC)c([nH]n2)c1ccccc1O
STK573531
Synonyms: N-[2-(4-tert-butylphenyl)-5-hydroxy[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-methoxybenzamide
Smiles: COc1ccccc1C(=O)Nc1cc(O)nc2n1nc(n2)c1ccc(cc1)C(C)(C)C
STK573537
Synonyms: 2-[2-amino-5-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]-5-[(4-fluorobenzyl)oxy]phenol
Smiles: COc1ccc(cc1)c1c(nc(nc1C(F)(F)F)N)c1ccc(cc1O)OCc1ccc(cc1)F
STK848039
Synonyms: N-[2-methyl-5-(6-methyl[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]-2-(morpholin-4-yl)acetamide
Smiles: O=C(Nc1cc(ccc1C)c1nnc2n1nc(C)c1c2cccc1)CN1CCOCC1
STK573541
Synonyms: 2,4-dihydroxy-1-(2-methoxyethyl)-5-(4-methoxyphenyl)-1,5-dihydro-6H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-6-one
Smiles: COCCn1c(O)nc(c2c1=NC1=C(C2c2ccc(cc2)OC)C(=O)c2c1cccc2)O
STK573542
Synonyms: 6-hydroxy-3-methyl-8-(4-methylpiperazin-1-yl)-7-{2-[(4-methylpyrimidin-2-yl)sulfanyl]ethyl}-3,7-dihydro-2H-purin-2-one
Smiles: CN1CCN(CC1)c1nc2c(n1CCSc1nccc(n1)C)c(O)nc(=O)n2C
STK573543
Synonyms: 3-{[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino}-6,7-dimethoxy-2-benzofuran-1(3H)-one
Smiles: CCc1ccc(cc1)c1csc(n1)NC1OC(=O)c2c1ccc(c2OC)OC
STK573545
Synonyms: 4-(4-chlorophenyl)-6-ethyl-2-methylpyridazino[3',4':4,5]pyrimido[1,6-a]benzimidazol-1(4H)-one
Smiles: CCc1nc2n(nc(c(=O)c2c2n1c1ccccc1n2)C)c1ccc(cc1)Cl
STK848040
Synonyms: N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-oxo-4H-chromene-2-carboxamide
Smiles: O=C(c1cc(=O)c2c(o1)cccc2)Nc1c(=O)n(n(c1C)C)c1ccccc1
STK573549
Synonyms: N'-(5-tert-butyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-N,N-dimethylethane-1,2-diamine
Smiles: CN(CCNc1cc(nc2n1ncc2c1ccccc1)C(C)(C)C)C
STK848041
Synonyms: 2,7-bis(2-chlorophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Clc1ccccc1c1nc2n(n1)cnc1c2cnn1c1ccccc1Cl
STK573555
Synonyms: 2-(5-methoxy-4,7-dimethyl-2-oxo-2H-chromen-3-yl)-N-[3-(propan-2-yloxy)propyl]acetamide
Smiles: COc1cc(C)cc2c1c(C)c(c(=O)o2)CC(=O)NCCCOC(C)C
STK573556
Synonyms: N-(cyclooctylcarbamoyl)-L-valine
Smiles: CC([C@@H](C(=O)O)NC(=O)NC1CCCCCCC1)C
STK573558
Synonyms: (3S,3a'R,6a'S)-7-chloro-3'-(1H-indol-3-ylmethyl)-5'-(tetrahydrofuran-2-ylmethyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: O=C1N(CC2CCCO2)C(=O)[C@H]2[C@@H]1C(Cc1c[nH]c3c1cccc3)N[C@]12C(=O)Nc2c1cccc2Cl
STK573560
Synonyms: 2-(cyclopentylamino)-9,10-dimethoxy-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one
Smiles: COc1cc2c(cc1OC)CCn1c2cc(NC2CCCC2)nc1=O
STK573561
Synonyms: N-(furan-2-ylmethyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide
Smiles: O=C(c1nn2c(n1)c1c(nc2)sc2c1CCCC2)NCc1ccco1
STK573563
Synonyms: 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone
Smiles: COc1cc2CN(CCc2cc1OC)C(=O)CSC1=NCCS1
STK573564
Synonyms: N-(2-cyanoethyl)-2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-methylacetamide
Smiles: N#CCCN(C(=O)CN1C(=O)c2c(S1(=O)=O)cccc2)C
STK573565
Synonyms: (5-chloro-1H-indol-2-yl)(2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-1-yl)methanone
Smiles: Clc1ccc2c(c1)cc([nH]2)C(=O)N1CCn2c1nc1c2cccc1
STK573567
Synonyms: 4-methoxy-N-[(4E)-2-(thiophen-2-yl)-4H-chromen-4-ylidene]aniline
Smiles: COc1ccc(cc1)/N=c/1\cc(oc2c1cccc2)c1cccs1
STK848043
Synonyms: N-(3,5-dimethylphenyl)-2-hydroxy-4-methyl-6-(3,4,5-trimethoxyphenyl)-1,6-dihydropyrimidine-5-carboxamide
Smiles: COc1cc(cc(c1OC)OC)C1NC(=NC(=C1C(=O)Nc1cc(C)cc(c1)C)C)O
STK848044
Synonyms: 2-hydroxy-7-(4-methoxyphenyl)-5-oxo-N-phenyl-3,4,5,6,7,8-hexahydroquinoline-4-carboxamide
Smiles: COc1ccc(cc1)C1CC(=O)C2=C(C1)N=C(CC2C(=O)Nc1ccccc1)O
STK848045
Synonyms: N-[(2E)-5-ethyl-1,3,4-thiadiazol-2(3H)-ylidene]-2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetamide
Smiles: CCc1n[nH]/c(=N\C(=O)Cc2nn(C)c(=O)c3c2cccc3)/s1
STK573571
Synonyms: (3S)-N-{2-oxo-2-[(tetrahydrofuran-2-ylmethyl)amino]ethyl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Smiles: O=C(CNC(=O)[C@H]1NCc2c(C1)cccc2)NCC1CCCO1
STK573575
Synonyms: (5Z)-3-cyclohexyl-5-{1-[(3,5-dimethoxybenzyl)amino]propylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: CC/C(=C/1\C(=NC(=O)N(C1=O)C1CCCCC1)O)/NCc1cc(OC)cc(c1)OC
STK573576
Synonyms: [(8-chloro-2-methyl[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]aceticacid
Smiles: OC(=O)CSc1nc(C)nc2c1oc1c2cc(cc1)Cl
STK848047
Synonyms: 7-benzyl-8-(piperidin-1-yl)-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazin-6-one
Smiles: O=c1c(Cc2ccccc2)c(nc2n1CCCS2)N1CCCCC1
STK848048
Synonyms: 2-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]acetamide
Smiles: COc1ccc(cc1)c1nonc1NC(=O)Cc1ccc(cc1)Cl
STK573584
Synonyms: 8-methoxy-3-(2-methoxyethyl)-2-(propan-2-yl)-4H-chromeno[2,3-d]pyrimidine-4,5(3H)-dione
Smiles: COCCn1c(nc2c(c1=O)c(=O)c1c(o2)cc(cc1)OC)C(C)C
STK573587
Synonyms: 2-(4-fluorophenyl)-9,10-dimethoxy-2,3,6,7-tetrahydro-4H-pyrido[2,1-a]isoquinolin-4-one
Smiles: COc1cc2c(cc1OC)CCN1C2=CC(CC1=O)c1ccc(cc1)F
STK573588
Synonyms: 2-[(4-methylphenoxy)methyl]-12-(pyridin-3-yl)-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-ol
Smiles: Cc1ccc(cc1)OCc1nc2n(n1)cnc1c2C(c2cccnc2)c2c(O1)cc(cc2)O
STK848050
Synonyms: 8-(2-methoxyphenyl)-1,3,6,7-tetramethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: COc1ccccc1n1c2nc3c(n2c(c1C)C)c(=O)n(c(=O)n3C)C
STK573590
Synonyms: 2-(3-bromo-4-ethoxy-5-methoxyphenyl)-4-imino-6,7-dihydro-4H-[1,3]dioxolo[4,5-g]pyrido[2,1-a]isoquinoline-3-carbonitrile
Smiles: CCOc1c(Br)cc(cc1OC)c1cc2c3cc4OCOc4cc3CCn2c(=N)c1C#N
STK573592
Synonyms: N'-{(E)-[1-(4-bromophenyl)-2-hydroxy-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-2-chlorobenzohydrazide
Smiles: Brc1ccc(cc1)N1C(=NC(=O)/C(=C\NNC(=O)c2ccccc2Cl)/C1=O)O
STK573593
Synonyms: 5-[(2,6-dichlorobenzyl)oxy]-2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]phenol
Smiles: COc1cc(ccc1OC)c1c[nH]nc1c1ccc(cc1O)OCc1c(Cl)cccc1Cl
STK848051
Synonyms: 7,8-dimethoxy-1-oxo-N-[3-(trifluoromethyl)phenyl]-1H-isothiochromene-3-carboxamide
Smiles: COc1c(OC)ccc2c1c(=O)sc(c2)C(=O)Nc1cccc(c1)C(F)(F)F
STK848052
Synonyms: 2-[(3-methoxybenzyl)amino]-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Smiles: CCCc1cc(O)n2c(n1)nc(n2)NCc1cccc(c1)OC
STK848053
Synonyms: 1-benzyl-7-methyl-2-[(2-methylpiperidin-1-yl)carbonyl]pyrido[1,2-a]pyrrolo[2,3-d]pyrimidin-4(1H)-one
Smiles: Cc1ccc2n(c1)c(=O)c1c(n2)n(c(c1)C(=O)N1CCCCC1C)Cc1ccccc1
STK573604
Synonyms: 3-[3-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
Smiles: CCOc1cc(ccc1OCC)c1noc(n1)CCC(=O)N
STK848056
Synonyms: 5-tert-butyl-3-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
Smiles: Clc1ccc(cc1)c1cnn2c1nc(cc2NCc1cccnc1)C(C)(C)C
STK573610
Synonyms: methyl2-(5-{(Z)-[1-(4-fluorobenzyl)-2-hydroxy-5-oxo-1,5-dihydro-4H-imidazol-4-ylidene]methyl}furan-2-yl)benzoate
Smiles: COC(=O)c1ccccc1c1ccc(o1)/C=C/1\N=C(N(C1=O)Cc1ccc(cc1)F)O
STK573611
Synonyms: 6-amino-1-(pyridin-2-ylmethyl)-2-sulfanylpyrimidin-4(1H)-one
Smiles: O=c1cc(N)n(c(n1)S)Cc1ccccn1
STK573614
Synonyms: N-[6-chloro-3-(4-methoxyphenyl)-4-oxo-4H-chromen-2-yl]-4-methoxybenzamide
Smiles: COc1ccc(cc1)C(=O)Nc1oc2ccc(cc2c(=O)c1c1ccc(cc1)OC)Cl
STK573617
Synonyms: N-[(3Z)-1-ethyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]benzenesulfonamide
Smiles: CCn1[nH]/c(=N\S(=O)(=O)c2ccccc2)/c2c1nc1ccccc1c2
STK573620
Synonyms: N-[6-chloro-4-oxo-3-(3,4,5-trimethoxyphenyl)-4H-chromen-2-yl]benzamide
Smiles: COc1cc(cc(c1OC)OC)c1c(NC(=O)c2ccccc2)oc2c(c1=O)cc(cc2)Cl
STK848057
Synonyms: 4-(4-fluorophenyl)-5-(furan-2-ylmethyl)-3-(2-hydroxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: Fc1ccc(cc1)C1N(Cc2ccco2)C(=O)c2c1c([nH]n2)c1ccccc1O
STK573631
Synonyms: N-(5-hydroxy-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-nitrobenzamide
Smiles: Oc1cc(NC(=O)c2ccc(cc2)[N+](=O)[O-])n2c(n1)nc(n2)c1ccccc1
STK573634
Synonyms: 3-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2,3-dihydro-1H-isoindol-1-one
Smiles: COc1ccc(cc1)N1CCN(CC1)C(=O)CC1NC(=O)c2c1cccc2
STK848062
Synonyms: N,4,7,7-tetramethyl-3-oxo-N-phenyl-2-oxabicyclo[2.2.1]heptane-1-carboxamide
Smiles: CN(C(=O)C12CCC(C2(C)C)(C(=O)O1)C)c1ccccc1
STK573637
Synonyms: [(5S)-3-[4-(2-amino-2-oxoethoxy)phenyl]-5-(benzylcarbamoyl)-4,5-dihydro-1,2-oxazol-5-yl]aceticacid
Smiles: O=C([C@@]1(ON=C(C1)c1ccc(cc1)OCC(=O)N)CC(=O)O)NCc1ccccc1
STK573638
Synonyms: 2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]-5-[(2-methylbenzyl)oxy]phenol
Smiles: Clc1ccc(cc1)c1cnc(nc1c1ccc(cc1O)OCc1ccccc1C)N
STK573643
Synonyms: (1R,2S)-2-[(1,1-dioxidotetrahydrothiophen-3-yl)(methyl)carbamoyl]cyclohexanecarboxylicacid
Smiles: CN(C(=O)[C@H]1CCCC[C@H]1C(=O)O)C1CCS(=O)(=O)C1
STK848064
Synonyms: 2-(ethylsulfanyl)-5-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Smiles: CCSc1nn2c(n1)nc(cc2O)c1ccc(cc1)OC
STK573648
Synonyms: 5,7-dimethyl-1-[4-(propan-2-yl)phenyl]-2-(pyridin-3-ylmethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Cc1cc(C)c2c(c1)c(=O)c1c(o2)C(=O)N(C1c1ccc(cc1)C(C)C)Cc1cccnc1
STK848066
Synonyms: 5-(biphenyl-4-yl)-7-(4-chlorophenyl)-3,7-dihydrotetrazolo[1,5-a]pyrimidine
Smiles: Clc1ccc(cc1)C1C=C(N=c2n1nn[nH]2)c1ccc(cc1)c1ccccc1
STK573653
Synonyms: 3-[(3a'S,6a'R)-5'-(butan-2-yl)-2,4',6'-trioxo-1,2,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl]propanoicacid
Smiles: CCC(N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CCC(=O)O)C(=O)Nc2c1cccc2)C
STK848068
Synonyms: N-(furan-2-ylmethyl)-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]furan-2-carboxamide
Smiles: O=C(N(Cc1cc2ccccc2[nH]c1=O)Cc1ccco1)c1ccco1
STK573663
Synonyms: 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-phenyl-5-(pyridin-3-ylmethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: O=C1c2n[nH]c(c2C(N1Cc1cccnc1)c1ccccc1)c1cc(Cl)c(cc1O)C
STK573666
Synonyms: N-[(2-fluorophenyl)carbamoyl]-L-phenylalanine
Smiles: O=C(Nc1ccccc1F)N[C@H](C(=O)O)Cc1ccccc1
STK573667
Synonyms: 3-[({[4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoicacid
Smiles: O=C(Nc1cccc(c1)C(=O)O)CSc1nnc(n1c1ccccc1)c1cccs1
STK573668
Synonyms: 2-[(3,4-dimethyl-2-oxo-2H-chromen-7-yl)oxy]-N-(pyridin-3-ylmethyl)acetamide
Smiles: O=C(NCc1cccnc1)COc1ccc2c(c1)oc(=O)c(c2C)C
STK573670
Synonyms: N-(3-bromobenzyl)-2-(4-chlorophenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)acetamide
Smiles: Clc1ccc(cc1)OCC(=O)N(C1CCS(=O)(=O)C1)Cc1cccc(c1)Br
STK573672
Synonyms: 3-(2-hydroxy-3,5-dimethylphenyl)-5-[2-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COc1ccc(cc1)CCN1C(=O)c2c(C1c1ccc(cc1)C)c([nH]n2)c1cc(C)cc(c1O)C
STK573673
Synonyms: N-[(thiophen-2-ylmethyl)carbamoyl]-L-phenylalanine
Smiles: O=C(N[C@H](C(=O)O)Cc1ccccc1)NCc1cccs1
STK573676
Synonyms: 2-{[7-(3,4-dichlorophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamide
Smiles: NC(=O)CSc1nnc2n1cnc1c2cnn1c1ccc(c(c1)Cl)Cl
STK573679
Synonyms: N-[1-(1H-benzimidazol-2-yl)-3-methyl-1H-pyrazol-5-yl]cyclopentanecarboxamide
Smiles: Cc1nn(c(c1)NC(=O)C1CCCC1)c1nc2c([nH]1)cccc2
STK848073
Synonyms: N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(3-methylphenyl)-4-oxo-1,4-dihydropyridazine-3-carboxamide
Smiles: Cc1cccc(c1)n1ccc(=O)c(n1)C(=O)Nc1cc(ccc1Cl)C(F)(F)F
STK573687
Synonyms: 3-(propan-2-yl)-3,4,7,8,9,10-hexahydro-2H,6H-benzo[3,4]chromeno[8,7-e][1,3]oxazin-6-one
Smiles: CC(N1COc2c(C1)c1oc(=O)c3c(c1cc2)CCCC3)C
STK573688
Synonyms: (5Z)-5-{[(2',6'-dihydroxy-3-methyl-4'-oxo-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-8-yl)amino]methylidene}-1-ethyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: CCN1C(=NC(=O)/C(=C/Nc2ccc3c(c2)CC2(C4N3CCN(C4)C)C(=NC(=NC2=O)O)O)/C1=O)S
STK573700
Synonyms: 1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-(3-hydroxypropyl)-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: OCCCN1C(=O)c2c(C1c1cc(Br)c(c(c1)OC)O)c(=O)c1c(o2)c(C)cc(c1)C
STK573701
Synonyms: N-{5-[(naphthalen-1-ylmethyl)sulfanyl]-1H-1,2,4-triazol-3-yl}acetamide
Smiles: CC(=O)Nc1n[nH]c(n1)SCc1cccc2c1cccc2
STK848075
Synonyms: 6-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-2-(piperidin-1-yl)pyrimidin-4-ol
Smiles: Oc1cc(CSc2nnc(s2)C)nc(n1)N1CCCCC1
STK573705
Synonyms: ethyl4-{[(5-methoxy-3-methyl-1H-indol-2-yl)carbonyl]amino}piperidine-1-carboxylate
Smiles: CCOC(=O)N1CCC(CC1)NC(=O)c1[nH]c2c(c1C)cc(cc2)OC
STK848078
Synonyms: methyl(7-hydroxy-2-methyl[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate
Smiles: COC(=O)Cc1cc(O)n2c(n1)nc(n2)C
STK848079
Synonyms: 2-methoxyethyl5-[(cyclopropylcarbonyl)oxy]-2-methyl-1-benzofuran-3-carboxylate
Smiles: COCCOC(=O)c1c(C)oc2c1cc(cc2)OC(=O)C1CC1
STK573712
Synonyms: N-(5-hydroxy[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-nitrobenzamide
Smiles: Oc1cc(NC(=O)c2cccc(c2)[N+](=O)[O-])n2c(n1)ncn2
STK573715
Synonyms: 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-5-(3-methoxypropyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COCCCN1C(=O)c2c(C1c1ccc(c(c1)OC)O)c([nH]n2)c1cc(Cl)c(cc1O)C
STK573719
Synonyms: N-[4-(furan-2-yl)butan-2-yl]-4-methoxy-N-methylbenzenesulfonamide
Smiles: COc1ccc(cc1)S(=O)(=O)N(C(CCc1ccco1)C)C
STK573721
Synonyms: N,N-diethyl-2-{[4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCN(C(=O)CSc1nnc(n1c1ccccc1)c1cnccn1)CC
STK573722
Synonyms: 3-(4-methoxyphenoxy)-5-(propan-2-ylamino)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Smiles: COc1ccc(cc1)Oc1cc(NC(C)C)c2c3c1noc3c1c(C2=O)cccc1
STK848081
Synonyms: 8-(2-chlorobenzyl)-1,3,7-trimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: Clc1ccccc1Cn1c(C)cn2c1nc1c2c(=O)n(c(=O)n1C)C
STK848082
Synonyms: N-butyl-N-[(6-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzenesulfonamide
Smiles: CCCCN(S(=O)(=O)c1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O
STK848083
Synonyms: 2-(5-methyl-1,2-oxazol-3-yl)-1-phenyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Cc1onc(c1)N1C(=O)c2c(C1c1ccccc1)c(=O)c1c(o2)cccc1
STK573729
Synonyms: 9-butyl-2-hydroxy-1-methyl-8-propyl-1,9-dihydro-6H-purin-6-one
Smiles: CCCc1nc2c(n1CCCC)nc(n(c2=O)C)O
STK573730
Synonyms: 4-(9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)aniline
Smiles: Nc1ccc(cc1)c1nc2n(n1)cnc1c2c2CCCCCc2s1
STK573731
Synonyms: N-(furan-2-ylmethyl)-N-[(8-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]furan-2-carboxamide
Smiles: O=C(N(Cc1cc2cccc(c2[nH]c1=O)C)Cc1ccco1)c1ccco1
STK573732
Synonyms: N-[3-(3,4-dimethoxyphenyl)-4-oxo-4H-chromen-2-yl]-4-nitrobenzamide
Smiles: COc1ccc(cc1OC)c1c(NC(=O)c2ccc(cc2)[N+](=O)[O-])oc2c(c1=O)cccc2
STK573733
Synonyms: 2,6-dihydroxy-1',2',3',3a'-tetrahydro-4H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinolin]-4-one
Smiles: OC1=NC(=O)C2(C(=N1)O)Cc1ccccc1N1C2CCC1
STK573735
Synonyms: 1,7-dimethyl-8-(4-methylphenyl)-3-[2-(piperidin-1-yl)ethyl]-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: Cc1ccc(cc1)n1c(C)cn2c1nc1c2c(=O)n(c(=O)n1C)CCN1CCCCC1
STK573736
Synonyms: 3-(2-methyl-1H-benzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
Smiles: O=C(Nc1cccc(c1)C(F)(F)F)CCn1c(C)nc2c1cccc2
STK573737
Synonyms: (3aR,4R,4aR,7aS,8R,8aR)-3-(2,4-dichlorophenyl)-6-[3-(trifluoromethyl)phenyl]-4a,7a,8,8a-tetrahydro-3aH-4,8-methano[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione
Smiles: Clc1ccc(c(c1)Cl)C1=NO[C@H]2[C@@H]1[C@@H]1C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1cccc(c1)C(F)(F)F
STK573739
Synonyms: (2S)-2-amino-4-(methylsulfanyl)-N'-[(E)-quinolin-8-ylmethylidene]butanehydrazide(non-preferredname)
Smiles: CSCC[C@@H](C(=O)N/N=C/c1cccc2c1nccc2)N
STK573741
Synonyms: 2-{5-[(2,5-dimethylbenzyl)sulfanyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl}pyrazine
Smiles: Cc1ccc(cc1)n1c(SCc2cc(C)ccc2C)nnc1c1nccnc1
STK573745
Synonyms: 2-{[5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1H-indazol-6-yl)acetamide
Smiles: O=C(Nc1ccc2c(c1)[nH]nc2)CSc1nnc(n1Cc1ccco1)c1cccc(c1)Cl
STL036510
Synonyms: N-[(2E)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]-2-(2,3,6-trimethylphenoxy)acetamide
Smiles: O=C(/N=c/1\[nH]nc(s1)C(C)C)COc1c(C)ccc(c1C)C
STK848087
Synonyms: 1-benzyl-9-methyl-4-oxo-N-(tetrahydrofuran-2-ylmethyl)-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: O=C(c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cccc1C)NCC1CCCO1
STK573754
Synonyms: 2-(ethylsulfanyl)-9-(3-hydroxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: CCSc1nn2c(n1)N=C1C(=C(O)CCC1)C2c1cccc(c1)O
STK848088
Synonyms: 2-{[3-(trifluoromethyl)phenyl]amino}[1,3]thiazolo[4,5-b]pyridine-5,7-diol
Smiles: Oc1cc(O)c2c(n1)nc(s2)Nc1cccc(c1)C(F)(F)F
STK848089
Synonyms: ethyl4-[(3-oxo-3H-benzo[f]chromen-1-yl)methyl]piperazine-1-carboxylate
Smiles: CCOC(=O)N1CCN(CC1)Cc1cc(=O)oc2c1c1ccccc1cc2
STK573756
Synonyms: 5-(3-chlorophenyl)-2-(2,4-dichlorophenyl)-4-phenyl-1H-imidazole
Smiles: Clc1ccc(c(c1)Cl)c1nc(c([nH]1)c1cccc(c1)Cl)c1ccccc1
STK573761
Synonyms: N,3-bis(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: Clc1ccc(cc1)Nc1cc(C)nc2n1nc(c2c1ccc(cc1)Cl)C
STK573765
Synonyms: 2,6-dihydroxy-3-(3-methylphenyl)-5-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)pyrimidin-4(3H)-one
Smiles: Cc1cccc(c1)n1c(O)nc(c(c1=O)C1OC(=O)c2c1cccc2)O
STK573767
Synonyms: 5-(3-chlorobenzyl)-4-hydroxy-6-methyl-2-phenyl-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one
Smiles: Clc1cccc(c1)Cc1c(C)nc2c(c1O)c(=O)n([nH]2)c1ccccc1
STK848090
Synonyms: N-{3-[(furan-2-ylmethyl)carbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl}-6,8-dimethyl-4-oxo-4H-chromene-2-carboxamide
Smiles: Cc1cc(C)c2c(c1)c(=O)cc(o2)C(=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCC2
STK848091
Synonyms: 2-[2-amino-5-(4-bromophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]-5-methoxyphenol
Smiles: COc1ccc(c(c1)O)c1nc(N)nc(c1c1ccc(cc1)Br)C(F)(F)F
STK573773
Synonyms: N-[(Z)-(4-hydroxy-2,6-dioxo-1-phenyl-1,6-dihydropyrimidin-5(2H)-ylidene)methyl]histidine
Smiles: OC(=O)C(Cc1c[nH]cn1)N/C=C\1/C(=NC(=O)N(C1=O)c1ccccc1)O
STK573774
Synonyms: 2-({4-amino-5-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-chloro-4,6-dimethylphenyl)acetamide
Smiles: O=C(Nc1c(C)cc(cc1Cl)C)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)F
STK848092
Synonyms: 3-(4-chlorophenyl)-8-(2,4-dimethoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Smiles: N#CC1=C2SCN(CN2C(=O)CC1c1ccc(cc1OC)OC)c1ccc(cc1)Cl
STK848093
Synonyms: 5-butyl-3-(2-hydroxyphenyl)-4-(3-hydroxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: CCCCN1C(=O)c2c(C1c1cccc(c1)O)c([nH]n2)c1ccccc1O
STK573777
Synonyms: 7-(2-chlorobenzyl)-8-[(2,6-dimethylmorpholin-4-yl)methyl]-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: CC1CN(CC(O1)C)Cc1nc2c(n1Cc1ccccc1Cl)c(O)nc(=O)n2C
STK573779
Synonyms: (2E)-N-(3-bromobenzyl)-3-(4-chlorophenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)prop-2-enamide
Smiles: Clc1ccc(cc1)/C=C/C(=O)N(C1CCS(=O)(=O)C1)Cc1cccc(c1)Br
STK848095
Synonyms: ethyl4-[(4-hydroxy-2-imino-2,5-dihydro-1,3-thiazol-5-yl)methyl]benzoate
Smiles: CCOC(=O)c1ccc(cc1)CC1SC(=N)N=C1O
STK848096
Synonyms: 3-(4-chlorophenyl)-N-(3-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: COc1cccc(c1)Nc1cc(C)nc2n1ncc2c1ccc(cc1)Cl
STK848098
Synonyms: ethyl2-({(E)-2-cyano-2-[4-(naphthalen-1-yl)-1,3-thiazol-2-yl]ethenyl}amino)benzoate
Smiles: CCOC(=O)c1ccccc1N/C=C(/c1scc(n1)c1cccc2c1cccc2)\C#N
STK573785
Synonyms: (5E)-6-hydroxy-5-(1-{[2-(1H-indol-3-yl)ethyl]amino}ethylidene)-3-(4-methoxyphenyl)pyrimidine-2,4(3H,5H)-dione
Smiles: COc1ccc(cc1)N1C(=O)N=C(/C(=C(\NCCc2c[nH]c3c2cccc3)/C)/C1=O)O
STK573788
Synonyms: (1S,2S)-N'-[(E)-(2-methyl-2H-chromen-3-yl)methylidene]-2-phenylcyclopropanecarbohydrazide
Smiles: CC1Oc2ccccc2C=C1/C=N/NC(=O)[C@H]1C[C@@H]1c1ccccc1
STK573789
Synonyms: 5-(2-fluorophenyl)-4-{[(E)-(2,4,5-trimethoxyphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cc(OC)c(cc1/C=N/n1c(=S)[nH]nc1c1ccccc1F)OC
STK573798
Synonyms: 1-(5-methyl-1-{2-methyl-6-[4-(phenylsulfonyl)phenoxy]pyrimidin-4-yl}-1H-pyrazol-4-yl)ethanone
Smiles: Cc1nc(Oc2ccc(cc2)S(=O)(=O)c2ccccc2)cc(n1)n1ncc(c1C)C(=O)C
STK573799
Synonyms: (5Z)-5-({3-[2-methyl-4-(propan-2-yloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-(2-methylpropyl)-2-thioxo-1,3-thiazolidin-4-one
Smiles: CC(CN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2C)OC(C)C)c2ccccc2)/C1=O)C
STK573805
Synonyms: 2-(3-chlorophenyl)-4-[(4-methylphenyl)carbonyl]hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione
Smiles: Cc1ccc(cc1)C(=O)C1N2CCCC2C2C1C(=O)N(C2=O)c1cccc(c1)Cl
STK573811
Synonyms: 8-(4-benzylpiperidin-1-yl)-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: O=C(c1ccccc1)Cn1c(nc2c1c(=O)n(c(=O)n2C)C)N1CCC(CC1)Cc1ccccc1
STK573813
Synonyms: 1-(4-{[6-(4-acetyl-5-methyl-1H-pyrazol-1-yl)-2-phenylpyrimidin-4-yl]oxy}phenyl)ethanone
Smiles: CC(=O)c1ccc(cc1)Oc1nc(nc(c1)n1ncc(c1C)C(=O)C)c1ccccc1
STK573818
Synonyms: N-[(2-fluorobenzyl)carbamoyl]-L-methionine
Smiles: CSCC[C@@H](C(=O)O)NC(=O)NCc1ccccc1F
STK573821
Synonyms: 4-amino-N-[2-(4-methoxyphenyl)ethyl]-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
Smiles: COc1ccc(cc1)CCNC(=O)c1sc(=S)n(c1N)c1ccccc1
STK573823
Synonyms: 2-phenyl-5-propylpyrazolo[1,5-a]pyrimidin-7-ol
Smiles: CCCc1cc(O)n2c(n1)cc(n2)c1ccccc1
STK573826
Synonyms: 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-fluorophenyl)-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1ccc(cc1OC)CCN1C(=O)c2c(C1c1ccccc1F)c(=O)c1c(o2)c(C)cc(c1)C
STK573832
Synonyms: 5-(3-chlorobenzyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-ol
Smiles: CN1CCN(CC1)c1nc(C)c(c(n1)O)Cc1cccc(c1)Cl
STK848105
Synonyms: 5-(2,5-dichlorophenyl)-N-[(2Z)-5-ethyl-1,3,4-thiadiazol-2(3H)-ylidene]furan-2-carboxamide
Smiles: CCc1n[nH]/c(=N/C(=O)c2ccc(o2)c2cc(Cl)ccc2Cl)/s1
STK573837
Synonyms: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-3-carboxamide
Smiles: O=C(c1cc([nH]n1)c1cc(Cl)ccc1O)Nc1ccc(cc1)S(=O)(=O)N1CCCCCC1
STK573846
Synonyms: 2-(4-fluorophenyl)-9-methyl-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: CN1CCc2c(C1)sc1c2c2nc(nn2cn1)c1ccc(cc1)F
STK848106
Synonyms: 8-(2-fluorophenyl)-3-(furan-2-ylmethyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Smiles: N#CC1=C2SCN(CN2C(=O)CC1c1ccccc1F)Cc1ccco1
STK573850
Synonyms: 3-(2-hydroxy-4-methylphenyl)-N-[(2E)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]-1H-pyrazole-5-carboxamide
Smiles: Cc1ccc(c(c1)O)c1n[nH]c(c1)C(=O)/N=c/1\[nH]nc(s1)C(C)C
STK573853
Synonyms: [(5S)-5-[(4-acetylphenyl)carbamoyl]-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]aceticacid
Smiles: COc1ccc(cc1)C1=NO[C@@](C1)(CC(=O)O)C(=O)Nc1ccc(cc1)C(=O)C
STK573860
Synonyms: 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-(2,4-dimethylphenyl)-2,6-dihydroxypyrimidin-4(3H)-one
Smiles: COc1cc2c(cc1OC)CCNC2c1c(O)nc(n(c1=O)c1ccc(cc1C)C)O
STK848112
Synonyms: N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-(naphthalen-1-yl)acetamide
Smiles: COc1cc(ccc1OC)c1nonc1NC(=O)Cc1cccc2c1cccc2
STK848113
Synonyms: 2-[4-(8,10-dimethyl-2-propylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-4-yl)piperazin-1-yl]ethanol
Smiles: CCCc1cc(N2CCN(CC2)CCO)n2c(n1)c1c(C)cc(nc1n2)C
STK573866
Synonyms: 7-chloro-1-(3-ethoxy-4-hydroxyphenyl)-2-(2-hydroxyethyl)-6-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: OCCN1C(=O)c2c(C1c1ccc(c(c1)OCC)O)c(=O)c1c(o2)cc(c(c1)Cl)C
STK848118
Synonyms: 2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-ol
Smiles: Clc1ccc(cc1)c1nn2c(c1)nc(cc2O)C
STK573881
Synonyms: 2-(4-methoxyphenyl)-9,9-dimethyl-12-(pyridin-3-yl)-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
Smiles: COc1ccc(cc1)c1nc2n(n1)cnc1c2C(c2cccnc2)C2=C(O1)CC(CC2=O)(C)C
STK573882
Synonyms: 2-{4-[(2E)-2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)acetyl]phenoxy}acetamide
Smiles: NC(=O)COc1ccc(cc1)C(=O)/C=C\1/C(=O)Nc2c1cccc2
STK848120
Synonyms: 2-[(2,6-dimethylmorpholin-4-yl)carbonyl]-1-(3-methoxypropyl)pyrido[1,2-a]pyrrolo[2,3-d]pyrimidin-4(1H)-one
Smiles: COCCCn1c(cc2c1nc1ccccn1c2=O)C(=O)N1CC(C)OC(C1)C
STK573885
Synonyms: 1-benzyl-N-(3-chlorophenyl)-7-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: Cc1ccc2n(c1)c(=O)c1c(n2)n(c(c1)C(=O)Nc1cccc(c1)Cl)Cc1ccccc1
STK573888
Synonyms: 1-[2-(4-fluorophenyl)-10-(furan-2-yl)-8-methyl-10H-pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-yl]ethanone
Smiles: Fc1ccc(cc1)c1nn2c(n1)c1c(nc2)OC(=C(C1c1ccco1)C(=O)C)C
STK573889
Synonyms: 4-(4-tert-butylphenyl)-3-(2-hydroxy-3,5-dimethylphenyl)-5-[2-(4-methoxyphenyl)ethyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COc1ccc(cc1)CCN1C(=O)c2c(C1c1ccc(cc1)C(C)(C)C)c([nH]n2)c1cc(C)cc(c1O)C
STK848121
Synonyms: 3-(2-hydroxyphenyl)-4-(3-methoxyphenyl)-5-propyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: CCCN1C(=O)c2c(C1c1cccc(c1)OC)c([nH]n2)c1ccccc1O
STK573892
Synonyms: (4E)-2-(1,3-benzodioxol-5-yl)-4-{[(3-hydroxyphenyl)amino]methylidene}isoquinoline-1,3(2H,4H)-dione
Smiles: Oc1cccc(c1)N/C=C/1\c2ccccc2C(=O)N(C1=O)c1ccc2c(c1)OCO2
STK573893
Synonyms: 7-hydroxy-3,4-dimethyl-8-{[(pyridin-4-ylmethyl)amino]methyl}-2H-chromen-2-one
Smiles: Oc1ccc2c(c1CNCc1ccncc1)oc(=O)c(c2C)C
STK573894
Synonyms: 7-(4-ethylpiperazin-1-yl)-3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine
Smiles: CCN1CCN(CC1)c1cc(C)nc2n1ncc2c1ccccc1OC
STK848123
Synonyms: 1-benzyl-N-(furan-2-ylmethyl)-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: O=c1c2cc(n(c2nc2n1cccc2)Cc1ccccc1)C(=O)NCc1ccco1
STK573901
Synonyms: N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)furan-2-carboxamide
Smiles: Brc1cccc(c1)CN(C(=O)c1ccco1)C1CCS(=O)(=O)C1
STK573904
Synonyms: N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-4-fluorobenzamide
Smiles: COc1cc(ccc1OC)c1nonc1NC(=O)c1ccc(cc1)F
STK573905
Synonyms: 7'-({(E)-[4-hydroxy-2,6-dioxo-1-(propan-2-yl)-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}amino)-1,3-dimethyl-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,3H)-t
Smiles: OC1=NC(=O)N(C(=O)/C/1=C/Nc1ccc2c(c1)CC1(C3N2CCC3)C(=O)N(C)C(=O)N(C1=O)C)C(C)C
STK573906
Synonyms: N-[(3Z)-1-ethyl-7-methyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]-4-methylbenzenesulfonamide
Smiles: CCn1[nH]/c(=N\S(=O)(=O)c2ccc(cc2)C)/c2c1nc1cc(C)ccc1c2
STK848127
Synonyms: tert-butyl{[3-(4-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetate
Smiles: COc1ccc(cc1)c1c(=O)c2ccc(cc2oc1C(F)(F)F)OCC(=O)OC(C)(C)C
STK848128
Synonyms: N-benzyl-N-[(8-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]furan-2-carboxamide
Smiles: O=C(N(Cc1cc2cccc(c2[nH]c1=O)C)Cc1ccccc1)c1ccco1
STK573911
Synonyms: 2,9,9-trimethyl-12-(pyridin-3-yl)-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
Smiles: Cc1nc2n(n1)cnc1c2C(c2cccnc2)C2=C(O1)CC(CC2=O)(C)C
STK573913
Synonyms: 7-[(4-ethenylbenzyl)oxy]-3-(2-methoxyphenoxy)-2-methyl-4H-chromen-4-one
Smiles: COc1ccccc1Oc1c(C)oc2c(c1=O)ccc(c2)OCc1ccc(cc1)C=C
STK848129
Synonyms: 8-(2,3-dimethoxyphenyl)-3-(4-ethylphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Smiles: N#CC1=C2SCN(CN2C(=O)CC1c1cccc(c1OC)OC)c1ccc(cc1)CC
STK573920
Synonyms: (3R)-N-(2-methylpropyl)-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
Smiles: CC(CNC(=O)[C@@H]1CSC2N1C(=O)c1c2cccc1)C
STK848130
Synonyms: 3-[(3-acetylphenyl)amino]-2-benzofuran-1(3H)-one
Smiles: CC(=O)c1cccc(c1)NC1OC(=O)c2c1cccc2
STK573929
Synonyms: 4-(3-ethoxyphenyl)-3-(2-hydroxy-3,5-dimethylphenyl)-5-(3-hydroxypropyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: OCCCN1C(=O)c2c(C1c1cccc(c1)OCC)c([nH]n2)c1cc(C)cc(c1O)C
STK573930
Synonyms: 2-{[7,7-dimethyl-2-(4-methylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]sulfanyl}-N,N-diethylethanamine
Smiles: CCN(CCSc1nc(nc2c1COC(C2)(C)C)c1ccc(cc1)C)CC
STK573932
Synonyms: 2-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-5-[(2-methylbenzyl)oxy]phenol
Smiles: COc1cc(ccc1OC)c1cnoc1c1ccc(cc1O)OCc1ccccc1C
STK848132
Synonyms: 3-(3,4-dimethylphenyl)-8-(4-hydroxy-3-methoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Smiles: N#CC1=C2SCN(CN2C(=O)CC1c1ccc(c(c1)OC)O)c1ccc(c(c1)C)C
STK573936
Synonyms: N-(2-oxo-2H-chromen-6-yl)-2-[(5Z)-4-oxo-5-(thiophen-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]acetamide
Smiles: O=C(CN1C(=S)S/C(=C\c2cccs2)/C1=O)Nc1ccc2c(c1)ccc(=O)o2
STK573938
Synonyms: 8,10-dimethyl-N-pentyl-2-propylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-4-amine
Smiles: CCCc1cc(NCCCCC)n2c(n1)c1c(C)cc(nc1n2)C
STK573943
Synonyms: 3,6,6-trimethyl-4-oxo-N-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide
Smiles: O=C(c1oc2c(c1C)C(=O)CC(C2)(C)C)Nc1nccs1
STK848134
Synonyms: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-methyl-4-oxo-4H-chromene-2-carboxamide
Smiles: N#Cc1c(NC(=O)c2cc(=O)c3c(o2)cc(cc3)C)sc2c1CCCC2
STK573948
Synonyms: 5-(2-hydroxyphenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-3-carboxamide
Smiles: CCCc1nnc(s1)NC(=O)c1n[nH]c(c1)c1ccccc1O
STK573949
Synonyms: 5-fluoro-N-(pyridin-2-ylmethyl)-1H-indole-2-carboxamide
Smiles: Fc1ccc2c(c1)cc([nH]2)C(=O)NCc1ccccn1
STK573952
Synonyms: 5-[(2-fluorobenzyl)oxy]-2-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]phenol
Smiles: COc1ccc(cc1)c1cnoc1c1ccc(cc1O)OCc1ccccc1F
STK573954
Synonyms: N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-ethoxybenzamide
Smiles: CCOc1ccccc1C(=O)N(C1CCS(=O)(=O)C1)Cc1ccc(cc1)Cl
STK573958
Synonyms: 2-[(2,6-dimethylphenoxy)methyl]-9-methyl-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: CN1CCc2c(C1)sc1c2c2nc(nn2cn1)COc1c(C)cccc1C
STK573959
Synonyms: 6-hydroxy-3-methyl-8-[4-(2-methylbenzyl)piperazin-1-yl]-7-(3-methylbutyl)-3,7-dihydro-2H-purin-2-one
Smiles: CC(CCn1c(nc2c1c(O)nc(=O)n2C)N1CCN(CC1)Cc1ccccc1C)C
STK573961
Synonyms: 2-[2-amino-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-[(3,4-dichlorobenzyl)oxy]phenol
Smiles: COc1ccccc1Oc1cnc(nc1c1ccc(cc1O)OCc1ccc(c(c1)Cl)Cl)N
STK573964
Synonyms: 4-(4-methoxyphenyl)-N-[(2Z)-1,3,4-thiadiazol-2(3H)-ylidene]tetrahydro-2H-pyran-4-carboxamide
Smiles: COc1ccc(cc1)C1(CCOCC1)C(=O)/N=c/1\scn[nH]1
STK573969
Synonyms: methyl2-{[(4-amino-3-methyl-2-thioxo-2,3-dihydro-1,3-thiazol-5-yl)carbonyl]amino}benzoate
Smiles: COC(=O)c1ccccc1NC(=O)c1sc(=S)n(c1N)C
STK573971
Synonyms: 2,8,10-trimethyl-4-[4-(2-phenylethyl)piperazin-1-yl]pyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidine
Smiles: Cc1cc(N2CCN(CC2)CCc2ccccc2)n2c(n1)c1c(C)cc(nc1n2)C
STK573980
Synonyms: N-(3-benzyl-2',6'-dihydroxy-4'-oxo-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-8-yl)acetamide
Smiles: OC1=NC(=O)C2(C(=N1)O)Cc1cc(ccc1N1C2CN(CC1)Cc1ccccc1)NC(=O)C
STK573983
Synonyms: 5-[(3,4-dichlorobenzyl)oxy]-2-(3-methyl-4-phenyl-1,2-oxazol-5-yl)phenol
Smiles: Oc1cc(ccc1c1onc(c1c1ccccc1)C)OCc1ccc(c(c1)Cl)Cl
STK573984
Synonyms: phenyl3-amino-6-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxylate
Smiles: O=C(c1sc2c(c1N)ccc(n2)c1ccco1)Oc1ccccc1
STK573985
Synonyms: 7-(3-bromobenzyl)-6-hydroxy-3-methyl-8-(methylamino)-3,7-dihydro-2H-purin-2-one
Smiles: CNc1nc2c(n1Cc1cccc(c1)Br)c(O)nc(=O)n2C
STK848144
Synonyms: (2Z)-2-(3-methylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-ylmorpholine-4-carboxylate
Smiles: Cc1cccc(c1)/C=C/1\Oc2c(C1=O)ccc(c2)OC(=O)N1CCOCC1
STK573988
Synonyms: (3S)-N-[(2S)-1-(cyclopentylamino)-4-(methylsulfanyl)-1-oxobutan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Smiles: CSCC[C@@H](C(=O)NC1CCCC1)NC(=O)[C@H]1NCc2c(C1)cccc2
STK573989
Synonyms: methyl4-[(5-{4-[(4-chlorobenzyl)oxy]-2-hydroxyphenyl}-1H-pyrazol-4-yl)oxy]benzoate
Smiles: COC(=O)c1ccc(cc1)Oc1cn[nH]c1c1ccc(cc1O)OCc1ccc(cc1)Cl
STK573991
Synonyms: ethyl2-[(9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-2-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(Nc2nc(=O)n3c(c2)c2cc(OC)c(cc2CC3)OC)sc2c1CCCC2
STK573992
Synonyms: (2Z)-2-(5-bromo-2-methoxybenzylidene)-6-[2-(4-methoxyphenyl)-2-oxoethoxy]-1-benzofuran-3(2H)-one
Smiles: COc1ccc(cc1)C(=O)COc1ccc2c(c1)O/C(=C\c1cc(Br)ccc1OC)/C2=O
STK573994
Synonyms: N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-ethoxy-N-[4-(propan-2-yl)benzyl]benzamide
Smiles: CCOc1ccccc1C(=O)N(C1CCS(=O)(=O)C1)Cc1ccc(cc1)C(C)C
STK573999
Synonyms: (6E)-5-imino-6-[(4-oxo-4H-chromen-3-yl)methylidene]-2-(pyridin-4-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C\c1coc2c(c1=O)cccc2)c1ccncc1
STK574000
Synonyms: 2-{[(2Z)-2-(3-fluorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}propanoicacid
Smiles: OC(=O)C(Oc1ccc2c(c1)O/C(=C\c1cccc(c1)F)/C2=O)C
STK574002
Synonyms: tert-butyl[(1S)-1-{5-[(2-fluorobenzyl)sulfonyl]-1,3,4-oxadiazol-2-yl}-3-methylbutyl]carbamate
Smiles: CC(C[C@@H](c1nnc(o1)S(=O)(=O)Cc1ccccc1F)NC(=O)OC(C)(C)C)C
STK574003
Synonyms: 3-(2-methoxyphenyl)-5-methyl-7-[4-(6-methylpyridin-2-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
Smiles: COc1ccccc1c1cnn2c1nc(C)cc2N1CCN(CC1)c1cccc(n1)C
STK574006
Synonyms: 2-amino-4-(methylsulfanyl)pyrido[2',3':4,5]thieno[2,3-d]pyrimidine-6,8-diol
Smiles: CSc1nc(N)nc2c1c1nc(O)cc(c1s2)O
STK574010
Synonyms: 2'-(1,3-benzoxazol-2-ylamino)-7',7'-dimethyl-7',8'-dihydro-6'H-spiro[cyclohexane-1,4'-quinazolin]-5'-ol
Smiles: OC1=C2C(=NC(=NC32CCCCC3)Nc2nc3c(o2)cccc3)CC(C1)(C)C
STK574011
Synonyms: 12-(4-methoxyphenyl)-2-(pyridin-3-yl)-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
Smiles: COc1ccc(cc1)C1C2=C(CCCC2=O)Oc2c1c1nc(nn1cn2)c1cccnc1
STK574016
Synonyms: 3-(1H-benzimidazol-2-yl)-1-(3-methoxypropyl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine
Smiles: COCCCn1c2nc3ccccc3nc2c(c1N)c1nc2c([nH]1)cccc2
STK574019
Synonyms: 3-(5-chloro-2-hydroxy-4-methylphenyl)-5-[2-(4-methoxyphenyl)ethyl]-4-[4-(methylsulfanyl)phenyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: CSc1ccc(cc1)C1N(CCc2ccc(cc2)OC)C(=O)c2c1c([nH]n2)c1cc(Cl)c(cc1O)C
STK848153
Synonyms: N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide
Smiles: COc1cc(ccc1OC)c1nonc1NC(=O)C1COc2c(O1)cccc2
STK574028
Synonyms: (2E)-3-(5,10-dimethyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)prop-2-enoicacid
Smiles: CC1CCc2c(C1)c1c(s2)nc(n2c1nc(n2)/C=C/C(=O)O)C
STK574029
Synonyms: (2Z)-2-[2-(7,7-dimethyl-2-phenyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)hydrazinylidene]pentanedioicacid
Smiles: OC(=O)CC/C(=N/Nc1nc(nc2c1COC(C2)(C)C)c1ccccc1)/C(=O)O
STK848154
Synonyms: 2-methyl-N-[3-(morpholin-4-yl)propyl]-3,5-diphenylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: Cc1nn2c(c1c1ccccc1)nc(cc2NCCCN1CCOCC1)c1ccccc1
STK574032
Synonyms: 5-(2-chlorobenzyl)-N-[(2E)-4,6-dimethylquinazolin-2(1H)-ylidene]-1,4,5,6-tetrahydro-1,3,5-triazin-2-amine
Smiles: Cc1ccc2c(c1)c(C)n/c(=N/C1=NCN(CN1)Cc1ccccc1Cl)/[nH]2
STK574033
Synonyms: (8E)-8-[(2E)-(1H-indol-3-ylmethylidene)hydrazinylidene]-1,3-dimethyl-3,7,8,9-tetrahydro-1H-purine-2,6-dione
Smiles: O=c1c2[nH]/c(=N\N=C\c3c[nH]c4c3cccc4)/[nH]c2n(c(=O)n1C)C
STK848155
Synonyms: 5-methyl-7-(morpholin-4-yl)-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine
Smiles: Cc1cc(N2CCOCC2)n2c(n1)nc(n2)C(F)(F)F
STK574046
Synonyms: 1-{[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propan-2-one
Smiles: CC(=O)CSc1nnc(n1N)c1n[nH]c(c1)C
STK574048
Synonyms: N-[(2-hydroxyquinolin-4-yl)methyl]-N-(4-methoxyphenyl)pyridine-4-carboxamide
Smiles: COc1ccc(cc1)N(C(=O)c1ccncc1)Cc1cc(O)nc2c1cccc2
STK574053
Synonyms: 5-tert-butyl-7-(4-methylpiperidin-1-yl)-3-phenylpyrazolo[1,5-a]pyrimidine
Smiles: CC1CCN(CC1)c1cc(nc2n1ncc2c1ccccc1)C(C)(C)C
STK574058
Synonyms: 2-({4-amino-5-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(5-chloropyridin-2-yl)acetamide
Smiles: O=C(Nc1ccc(cn1)Cl)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)F
STK574062
Synonyms: 1-[5,7-bis(4-methoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-2,5-dione
Smiles: COc1ccc(cc1)C1Nc2nc(nn2C(C1)c1ccc(cc1)OC)N1C(=O)CCC1=O
STK574063
Synonyms: 2-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-5-[(4-nitrobenzyl)oxy]phenol
Smiles: COc1ccc(cc1)c1cnoc1c1ccc(cc1O)OCc1ccc(cc1)[N+](=O)[O-]
STK574064
Synonyms: N-(4-chlorophenyl)-5-hydroxy-7-(4-methoxyphenyl)-2-oxo-2,3,4,6,7,8-hexahydroquinoline-4-carboxamide
Smiles: COc1ccc(cc1)C1CC(=C2C(=NC(=O)CC2C(=O)Nc2ccc(cc2)Cl)C1)O
STK848158
Synonyms: 2-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}quinazolin-4-ol
Smiles: Nc1nnc(s1)SCc1nc(O)c2c(n1)cccc2
STK848159
Synonyms: 7-(3,5-dimethylphenyl)-3-(thiophen-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: Cc1cc(C)cc(c1)n1ncc2c1ncn1c2nnc1c1cccs1
STK574067
Synonyms: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)-3-phenylpropanamide
Smiles: Oc1nc2ccccc2c(=O)n1[C@@H](C(=O)NCc1ccc2c(c1)OCO2)Cc1ccccc1
STK574072
Synonyms: 2-methyl-3-phenyl-8-(piperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidine
Smiles: Cc1nn2c(c1c1ccccc1)nc1c(c2N2CCCCC2)CCC1
STK848161
Synonyms: N-{4-[(2-methyl-3-phenyl-5-propylpyrazolo[1,5-a]pyrimidin-7-yl)amino]phenyl}acetamide
Smiles: CCCc1cc(Nc2ccc(cc2)NC(=O)C)n2c(n1)c(c1ccccc1)c(n2)C
STK848162
Synonyms: 3-(2-ethoxyphenoxy)-4-oxo-4H-chromen-7-ylcyclopropanecarboxylate
Smiles: CCOc1ccccc1Oc1coc2c(c1=O)ccc(c2)OC(=O)C1CC1
STK574076
Synonyms: N-[2-({(Z)-[1-(3,4-dimethylphenyl)-2-hydroxy-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}amino)phenyl]acetamide
Smiles: CC(=O)Nc1ccccc1N/C=C\1/C(=O)N=C(N(C1=O)c1ccc(c(c1)C)C)O
STK574077
Synonyms: N'-[5-tert-butyl-3-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylethane-1,2-diamine
Smiles: CN(CCNc1cc(nc2n1ncc2c1ccccc1Cl)C(C)(C)C)C
STK574079
Synonyms: (2E)-N-(2-chlorobenzyl)-3-(2-chlorophenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)prop-2-enamide
Smiles: O=C(N(C1CCS(=O)(=O)C1)Cc1ccccc1Cl)/C=C/c1ccccc1Cl
STK574080
Synonyms: 2-[(5Z)-5-(4-chlorobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
Smiles: O=C(CN1C(=O)S/C(=C\c2ccc(cc2)Cl)/C1=O)NCCc1c[nH]c2c1cccc2
STK574081
Synonyms: 5-[(4-chlorobenzyl)oxy]-2-(3-methyl-4-phenyl-1,2-oxazol-5-yl)phenol
Smiles: Clc1ccc(cc1)COc1ccc(c(c1)O)c1onc(c1c1ccccc1)C
STK574082
Synonyms: 9,9-dimethyl-12-(4-methylphenyl)-2-(pyridin-2-yl)-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
Smiles: Cc1ccc(cc1)C1C2=C(Oc3c1c1nc(nn1cn3)c1ccccn1)CC(CC2=O)(C)C
STK848164
Synonyms: 8-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Smiles: N#CC1=C2SCN(CN2C(=O)CC1c1ccc(cc1)Cl)c1ccc(cc1OC)OC
STK848168
Synonyms: 2-[2-amino-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-[(2,5-dimethylbenzyl)oxy]phenol
Smiles: COc1ccccc1Oc1cnc(nc1c1ccc(cc1O)OCc1cc(C)ccc1C)N
STK574091
Synonyms: {[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}aceticacid
Smiles: OC(=O)CSCc1nnc(o1)c1ccccc1
STK848169
Synonyms: 3-(4-chlorophenyl)-5-methyl-7-(piperidin-1-yl)pyrazolo[1,5-a]pyrimidine
Smiles: Clc1ccc(cc1)c1cnn2c1nc(C)cc2N1CCCCC1
STK848170
Synonyms: 2-[2-amino-5-(4-methoxyphenoxy)pyrimidin-4-yl]-5-[(4-fluorobenzyl)oxy]phenol
Smiles: COc1ccc(cc1)Oc1cnc(nc1c1ccc(cc1O)OCc1ccc(cc1)F)N
STK574104
Synonyms: 1-amino-4-[(2-hydroxyethyl)amino]-2-(morpholin-4-yl)anthracene-9,10-dione
Smiles: OCCNc1cc(N2CCOCC2)c(c2c1C(=O)c1ccccc1C2=O)N
STK848173
Synonyms: 5-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
Smiles: COc1ccc(cc1OC)c1onc(n1)c1cc(OC)c(c(c1)OC)OC
STK574106
Synonyms: 5-[(4-fluorobenzyl)oxy]-2-[4-(3-methoxyphenoxy)-3-methyl-1H-pyrazol-5-yl]phenol
Smiles: COc1cccc(c1)Oc1c(C)n[nH]c1c1ccc(cc1O)OCc1ccc(cc1)F
STK848174
Synonyms: N-(4-chlorophenyl)-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
Smiles: Clc1ccc(cc1)Nc1cc(C)nc2n1nc(c2c1ccccc1)C
STK848175
Synonyms: 4-methyl-N-[(2E)-4-methylquinazolin-2(1H)-ylidene]pyrimidin-2-amine
Smiles: Cc1ccnc(n1)/N=c\1/nc(C)c2c([nH]1)cccc2
STK574112
Synonyms: N-(4-fluorophenyl)-3-(1H-indol-3-yl)-2-methylpropanamide
Smiles: O=C(C(Cc1c[nH]c2c1cccc2)C)Nc1ccc(cc1)F
STK574113
Synonyms: ethyl2-[4-(ethoxycarbonyl)piperazin-1-yl]-4-hydroxypyrimidine-5-carboxylate
Smiles: CCOC(=O)N1CCN(CC1)c1ncc(c(n1)O)C(=O)OCC
STK848176
Synonyms: N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethoxybenzyl)-6,8-dimethyl-4-oxo-4H-chromene-2-carboxamide
Smiles: CCOc1ccc(cc1)CN(C(=O)c1cc(=O)c2c(o1)c(C)cc(c2)C)C1CCS(=O)(=O)C1
STK848177
Synonyms: N-(3-methoxypropyl)-1,7-dimethyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: COCCCNC(=O)c1cc2c(n1C)nc1n(c2=O)cc(cc1)C
STK848180
Synonyms: 5-(2-chlorobenzyl)-4-hydroxy-6-methyl-2-phenyl-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one
Smiles: Clc1ccccc1Cc1c(C)nc2c(c1O)c(=O)n([nH]2)c1ccccc1
STK574120
Synonyms: N-(2-methylphenyl)-1-(4-methylphenyl)-4-oxo-2-[(1E)-1-phenylprop-1-en-2-yl]azetidine-2-carboxamide
Smiles: Cc1ccc(cc1)N1C(=O)CC1(C(=O)Nc1ccccc1C)/C(=C/c1ccccc1)/C
STK848181
Synonyms: 2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidin-8-ol
Smiles: Oc1c2CCCc2nc2n1nc(c2)c1ccccc1
STK574123
Synonyms: N-[(5-chloro-2-methylphenyl)carbamoyl]-D-alanine
Smiles: O=C(Nc1cc(Cl)ccc1C)N[C@@H](C(=O)O)C
STK574124
Synonyms: (5Z)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-5-[(2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Smiles: N#CC1=C(C)/C(=C/C=C/c2ccccc2OC)/C(=O)N(C1=O)C1CCS(=O)(=O)C1
STK574126
Synonyms: 4-[(4Z)-4-(3,4-dimethoxybenzylidene)-2-methyl-5-oxo-4,5-dihydro-1H-imidazol-1-yl]benzoicacid
Smiles: COc1ccc(cc1OC)/C=C/1\N=C(N(C1=O)c1ccc(cc1)C(=O)O)C
STK574129
Synonyms: 8,10-dimethyl-4-[4-(6-methylpyridin-2-yl)piperazin-1-yl]-2-propylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidine
Smiles: CCCc1cc(N2CCN(CC2)c2cccc(n2)C)n2c(n1)c1c(C)cc(nc1n2)C
STK574135
Synonyms: 9-(3-ethoxy-4-hydroxyphenyl)-2-(ethylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: CCOc1cc(ccc1O)C1C2=C(O)CCCC2=Nc2n1nc(n2)SCC
STK848182
Synonyms: 2-(2,4-dichlorophenyl)-8-methoxy-3-(2-methoxyethyl)-4H-chromeno[2,3-d]pyrimidine-4,5(3H)-dione
Smiles: COCCn1c(nc2c(c1=O)c(=O)c1c(o2)cc(cc1)OC)c1ccc(cc1Cl)Cl
STK574138
Synonyms: ethyl1-[(4,5,6-trimethoxy-1H-indol-2-yl)carbonyl]piperidine-4-carboxylate
Smiles: CCOC(=O)C1CCN(CC1)C(=O)c1cc2c([nH]1)cc(c(c2OC)OC)OC
STK574142
Synonyms: N-[(E)-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methylidene]-3-(morpholin-4-yl)quinoxalin-2-amine
Smiles: COc1cc2CN(/C=N/c3nc4ccccc4nc3N3CCOCC3)CCc2cc1OC
STK848183
Synonyms: 4-{[(1E,2E)-3-(furan-2-yl)prop-2-en-1-ylidene]amino}-5-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Cc1ccc(cc1)c1n[nH]c(=S)n1/N=C/C=C/c1ccco1
STK574148
Synonyms: (1Z)-6,7-dimethoxy-1-[(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)methylidene]-1,2,3,4-tetrahydroisoquinoline
Smiles: COc1cc2CCN/C(=C\S(=O)(=O)c3ccc4c(c3)CCCC4)/c2cc1OC
STK574149
Synonyms: 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(3-ethoxy-4-hydroxyphenyl)-5-(2-methoxyethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COCCN1C(=O)c2c(C1c1ccc(c(c1)OCC)O)c([nH]n2)c1cc(Cl)c(cc1O)C
STK574151
Synonyms: N-[5-hydroxy-2-(2-phenylethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2,2-dimethylpropanamide
Smiles: Oc1cc(NC(=O)C(C)(C)C)n2c(n1)nc(n2)CCc1ccccc1
STK574153
Synonyms: (2E)-3-(4-fluorophenyl)-1-(5-methylidene-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-6(5H)-yl)prop-2-en-1-one
Smiles: Fc1ccc(cc1)/C=C/C(=O)N1CCc2c(C1=C)cc1c(c2)OCO1
STK574157
Synonyms: 2-[(2E)-1,3-benzoxazol-2(3H)-ylideneamino]-N'-[(4-chlorophenoxy)acetyl]-4-methylpyrimidine-5-carbohydrazide
Smiles: O=C(NNC(=O)c1cnc(nc1C)/N=c\1/oc2c([nH]1)cccc2)COc1ccc(cc1)Cl
STK574158
Synonyms: 5-(2-hydroxy-3,4-dimethylphenyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide
Smiles: O=C(c1n[nH]c(c1)c1ccc(c(c1O)C)C)Nc1cccc(c1)C(F)(F)F
STK574159
Synonyms: 1-(3,5-dimethoxyphenyl)-3-(1-methyl-1H-benzimidazol-2-yl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine
Smiles: COc1cc(OC)cc(c1)n1c(N)c(c2c1nc1ccccc1n2)c1nc2c(n1C)cccc2
STK574160
Synonyms: 6-ethyl-10-methyl-3-(tetrahydrofuran-2-ylmethyl)-3,4-dihydro-2H,8H-chromeno[6,7-e][1,3]oxazin-8-one
Smiles: CCc1cc(=O)oc2c1cc1CN(COc1c2C)CC1CCCO1
STK574161
Synonyms: 1-benzyl-N-[3-(morpholin-4-yl)propyl]-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: O=c1c2cc(n(c2nc2n1cccc2)Cc1ccccc1)C(=O)NCCCN1CCOCC1
STK574163
Synonyms: 3-(4-bromophenyl)-5-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole
Smiles: Clc1ccc(cc1)C1ON=C(C1)c1ccc(cc1)Br
STK574166
Synonyms: tert-butyl{(1S)-1-[5-(methylsulfonyl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl}carbamate
Smiles: O=C(OC(C)(C)C)N[C@H](c1nnc(o1)S(=O)(=O)C)Cc1ccccc1
STK574167
Synonyms: 4-(5-fluoro-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine
Smiles: Fc1ccc2c(c1)c(c1csc(n1)N)c([nH]2)C
STK574171
Synonyms: N-[(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)carbonyl]glycine
Smiles: OC(=O)CNC(=O)c1sc2c(c1N)cc1c(n2)CCCC1
STK574178
Synonyms: tert-butyl(3S)-3-({(2S)-1-oxo-1-[(1-phenylethyl)amino]propan-2-yl}carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate
Smiles: O=C([C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)C)NC(c1ccccc1)C
STK848186
Synonyms: 8-(3,5-dimethylphenyl)-3-(2-methoxyethyl)-1,7-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: COCCn1c(=O)n(C)c2c(c1=O)n1cc(n(c1n2)c1cc(C)cc(c1)C)C
STK574182
Synonyms: 2-ethyl-N-[(2E)-3-[2-(4-fluorophenyl)ethyl]-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]butanamide
Smiles: CCC(C(=O)/N=C\1/SC2C(N1CCc1ccc(cc1)F)CS(=O)(=O)C2)CC
STK574185
Synonyms: 2-(phenoxymethyl)-3,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
Smiles: O=c1c2CCCc2nc2n1nc([nH]2)COc1ccccc1
STK574191
Synonyms: 1-(4-tert-butylphenyl)-5,7-dimethyl-2-(pyridin-3-ylmethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Cc1cc(C)c2c(c1)c(=O)c1c(o2)C(=O)N(C1c1ccc(cc1)C(C)(C)C)Cc1cccnc1
STK574195
Synonyms: N-[(5-chloro-2-methylphenyl)carbamoyl]-L-methionine
Smiles: Cc1ccc(cc1NC(=O)N[C@H](C(=O)O)CCSC)Cl
STK574199
Synonyms: 5,6-di(furan-2-yl)-N-(6-methylpyridin-2-yl)furo[2,3-d]pyrimidin-4-amine
Smiles: Cc1cccc(n1)Nc1ncnc2c1c(c1ccco1)c(o2)c1ccco1
STK574200
Synonyms: 3-({4-[(E)-(5-hydroxy-2-oxo-2,3-dihydro-4H-imidazol-4-ylidene)methyl]phenoxy}methyl)benzoicacid
Smiles: O=C1N=C(/C(=C\c2ccc(cc2)OCc2cccc(c2)C(=O)O)/N1)O
STK574204
Synonyms: 3-[(7-benzyl-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
Smiles: OCCCNc1ncnc2c1c(C)c(n2Cc1ccccc1)C
STK574206
Synonyms: 12-(furan-2-yl)-2-(2-methoxyphenyl)-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
Smiles: COc1ccccc1c1nc2n(n1)cnc1c2C(c2ccco2)C2=C(O1)CCCC2=O
STK848189
Synonyms: N-(4-butylphenyl)-1-(3-methoxypropyl)-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: CCCCc1ccc(cc1)NC(=O)c1cc2c(n1CCCOC)nc1n(c2=O)cccc1
STK574213
Synonyms: 2-(8-imino-7-phenyl-7H-benzo[7,8]chromeno[2,3-d]pyrimidin-9(8H)-yl)-N,N-dimethylethanamine
Smiles: CN(CCn1cnc2c(c1=N)C(c1ccccc1)c1c(O2)c2ccccc2cc1)C
STK574216
Synonyms: 6-[2-(2-methoxyphenoxy)ethyl]-7,10-dimethyl-6H-indolo[2,3-b]quinoxaline
Smiles: COc1ccccc1OCCn1c2nc3ccccc3nc2c2c1c(C)ccc2C
STK848191
Synonyms: 2-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidin-8-ol
Smiles: COc1ccc(cc1)c1cc2n(n1)c(O)c1c(n2)CCC1
STK848192
Synonyms: 2-amino-5-(2,5-dimethoxyphenyl)-4-hydroxy-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one
Smiles: COc1ccc(c(c1)C1CC(=O)Nc2c1c(O)nc(n2)N)OC
STK574220
Synonyms: (5E)-3-(3-chlorophenyl)-2-hydroxy-5-{[1-(4-hydroxyphenyl)-1H-pyrrol-2-yl]methylidene}-3,5-dihydro-4H-imidazol-4-one
Smiles: Oc1ccc(cc1)n1cccc1/C=C\1/N=C(N(C1=O)c1cccc(c1)Cl)O
STK574222
Synonyms: 2-({[(5E)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetyl}amino)-5-hydroxybenzoicacid
Smiles: O=C(Nc1ccc(cc1C(=O)O)O)CN1C(=S)S/C(=C/c2ccccc2Cl)/C1=O
STK574224
Synonyms: (1Z)-5-(4-chloro-3-methylphenoxy)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene)pentan-2-one
Smiles: COc1cc2CCN/C(=C\C(=O)CCCOc3ccc(c(c3)C)Cl)/c2cc1OC
STK574226
Synonyms: 7-chloro-1-(3-ethoxy-4-hydroxyphenyl)-2-(3-methoxypropyl)-6-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COCCCN1C(=O)c2c(C1c1ccc(c(c1)OCC)O)c(=O)c1c(o2)cc(c(c1)Cl)C
STK574227
Synonyms: ethyl4,5-dimethyl-2-{[(E)-(naphthalen-1-ylamino)methylidene]amino}thiophene-3-carboxylate
Smiles: CCOC(=O)c1c(/N=C/Nc2cccc3c2cccc3)sc(c1C)C
STK574228
Synonyms: N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-propoxybenzamide
Smiles: CCCOc1ccccc1C(=O)N(C1CCS(=O)(=O)C1)Cc1ccc(cc1)Cl
STK574229
Synonyms: N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(2-nitrophenoxy)acetamide
Smiles: Brc1cccc(c1)CN(C1CCS(=O)(=O)C1)C(=O)COc1ccccc1[N+](=O)[O-]
STK574230
Synonyms: (5Z)-5-[(6-hydroxy-4-oxo-4H-chromen-3-yl)methylidene]-3-phenyl-2-thioxo-1,3-thiazolidin-4-one
Smiles: Oc1ccc2c(c1)c(=O)c(co2)/C=C/1\SC(=S)N(C1=O)c1ccccc1