FULL DB

Total number of items: 1633432
Total number of pages: 1634 ( 1000 items on each page )

STK584816
Synonyms: 4-hydroxy-8-(2-methoxyethyl)-1,7-dimethyl-1H-imidazo[2,1-f]purin-2(8H)-one
Smiles: COCCn1c(C)cn2c1nc1c2c(O)nc(=O)n1C

STK584818
Synonyms: methylN-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl}-L-valinate
Smiles: COC(=O)[C@H](C(C)C)NC(=O)N1C[C@H](C)C[C@@H](C1)C

STK584819
Synonyms: (4E)-5-(4-fluorophenyl)-4-[hydroxy(4-methylphenyl)methylidene]-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione
Smiles: CSc1nnc(s1)N1C(c2ccc(cc2)F)/C(=C(/c2ccc(cc2)C)\O)/C(=O)C1=O

STK584822
Synonyms: 3-benzyl-2-{[2-(dimethylamino)ethyl]amino}-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: CN(CCNc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCCCC3)C

STK584824
Synonyms: 9-methyl-2-(naphthalen-1-yl)-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)c1cccc2c1cccc2

STK584826
Synonyms: 5-bromo-N-[(1Z)-1-{1-cyano-2-[(3-methylbutyl)amino]-2-oxoethylidene}-1H-isoindol-3-yl]furan-2-carboxamide
Smiles: N#C/C(=C\1/N=C(c2c1cccc2)NC(=O)c1ccc(o1)Br)/C(=O)NCCC(C)C

STK584827
Synonyms: 1,1'-[(2,2-dimethyl-5-propyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-8-yl)imino]dipropan-2-ol
Smiles: CCCc1nc2oc3c(c2c2c1COC(C2)(C)C)ncnc3N(CC(O)C)CC(O)C

STK584828
Synonyms: (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(2-fluorophenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione
Smiles: O=C1C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/O)/C(N1c1nccs1)c1ccccc1F

STK584830
Synonyms: 2-hydroxy-N'-{(E)-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylidene}benzohydrazide
Smiles: COc1cc(ccc1c1ccc(o1)/C=N/NC(=O)c1ccccc1O)[N+](=O)[O-]

STK584831
Synonyms: 8-[(4-bromophenyl)sulfonyl]-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline
Smiles: Brc1ccc(cc1)S(=O)(=O)N1CCc2c(C1)cc1c(c2)OCCCO1

STK584832
Synonyms: N-(2-fluorophenyl)-2-{[4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccccc1F)CSc1nnc(n1c1ccccc1)c1cnccn1

STK584833
Synonyms: 5-(3-methoxyphenyl)-4-{[(E)-(3-methoxyphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cccc(c1)/C=N/n1c(=S)[nH]nc1c1cccc(c1)OC

STK584835
Synonyms: (1'S,3R,3'S,7a'S)-1'-[(2-ethoxyphenyl)carbonyl]-6'',7''-dimethyl-5',6',7',7a'-tetrahydro-1'H-dispiro[indole-3,2'-pyrrolizine-3',3''-indole]-2,2''(1H,1''H)-dione
Smiles: CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCCN2[C@@]2([C@]31C(=O)Nc1c3cccc1)C(=O)Nc1c2ccc(c1C)C

STK584836
Synonyms: 1,4-bis(4-chlorophenyl)-N-(3-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: COc1cccc(c1)NC(=O)c1n2cc(n3c2c(c1c1ccc(cc1)Cl)CCCC3)c1ccc(cc1)Cl

STK584837
Synonyms: 4-chloro-N-[(3Z)-1-ethyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]benzenesulfonamide
Smiles: CCn1[nH]/c(=N\S(=O)(=O)c2ccc(cc2)Cl)/c2c1nc1ccccc1c2

STK584838
Synonyms: 8-{(E)-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl}quinoline
Smiles: c1ccc(cc1)c1csc2c1c(N/N=C/c1cccc3c1nccc3)ncn2

STK584840
Synonyms: N-(2-chlorophenyl)-2-(4-oxoquinazolin-3(4H)-yl)butanamide
Smiles: CCC(n1cnc2c(c1=O)cccc2)C(=O)Nc1ccccc1Cl

STK584841
Synonyms: 6-hydroxy-7-(2-hydroxy-2-phenylethyl)-3-methyl-8-[(2E)-2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinyl]-3,7-dihydro-2H-purin-2-one
Smiles: OC(c1ccccc1)Cn1c(N/N=C\2/C(=O)Nc3c2cccc3)nc2c1c(O)nc(=O)n2C

STK584843
Synonyms: N-[(1Z)-1-{1-cyano-2-[(3-methylbutyl)amino]-2-oxoethylidene}-1H-isoindol-3-yl]-2-methylbenzamide
Smiles: N#C/C(=C\1/N=C(c2c1cccc2)NC(=O)c1ccccc1C)/C(=O)NCCC(C)C

STK584844
Synonyms: N-[6-chloro-3-(naphthalen-1-yl)-4-oxo-4H-chromen-2-yl]thiophene-2-carboxamide
Smiles: Clc1ccc2c(c1)c(=O)c(c(o2)NC(=O)c1cccs1)c1cccc2c1cccc2

STK584845
Synonyms: N-{(2S)-1-[(2-methoxybenzyl)amino]-1-oxopropan-2-yl}-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
Smiles: COc1ccc(cc1)N1CC(CC1=O)C(=O)N[C@H](C(=O)NCc1ccccc1OC)C

STK584846
Synonyms: (4E)-5-(4-fluorophenyl)-1-hexyl-4-[hydroxy(4-methylphenyl)methylidene]pyrrolidine-2,3-dione
Smiles: CCCCCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)C)/O)/C1c1ccc(cc1)F

STK584848
Synonyms: 8-[(dibenzylamino)methyl]-1,3-dimethyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(CCn1c(CN(Cc2ccccc2)Cc2ccccc2)nc2c1c(=O)n(c(=O)n2C)C)C

STK584849
Synonyms: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-(2-fluorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1c1ccccc1F

STK584850
Synonyms: 6,7-dimethoxy-1-methyl-N-(2-phenylethyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Smiles: COc1cc2c(cc1OC)CCN(C2C)C(=S)NCCc1ccccc1

STK584851
Synonyms: 9-(5-methyl-1,2-oxazol-3-yl)-8-(3,4,5-trimethoxyphenyl)-8,9-dihydrobenzo[7,8]chromeno[2,3-c]pyrrole-7,10-dione
Smiles: COc1c(OC)cc(cc1OC)C1N(c2noc(c2)C)C(=O)c2c1c(=O)c1c(o2)c2ccccc2cc1

STK584852
Synonyms: 6'-hydroxy-2,3',4-trimethyl-8-nitro-1,2,4,4a-tetrahydro-2'H,6H-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4'(3'H)-dione
Smiles: CC1OC(C)C2N(C1)c1ccc(cc1CC12C(=NC(=O)N(C1=O)C)O)[N+](=O)[O-]

STK584853
Synonyms: N-[(5Z)-5-(1H-benzimidazol-2-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]pyridine-3-carboxamide
Smiles: S=C1S/C(=C\c2nc3c([nH]2)cccc3)/C(=O)N1NC(=O)c1cccnc1

STK584854
Synonyms: 5-(3,4-dimethylphenyl)-3-(2-hydroxyphenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylicacid
Smiles: OC(=O)C1NC(C2C1C(=O)N(C2=O)c1ccc(c(c1)C)C)c1ccccc1O

STK584856
Synonyms: N-(2,5-dichlorophenyl)-2-{[5-(2-fluorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1c1ccccc1F

STK584858
Synonyms: 5-(diethylammonio)-2-(2,3-dihydro-1H-perimidin-2-yl)phenolate
Smiles: CC[NH+](c1ccc(c(c1)[O-])C1Nc2cccc3c2c(N1)ccc3)CC

STK584859
Synonyms: 2,2-diphenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
Smiles: O=C(C(c1ccccc1)c1ccccc1)NCCc1nnc2n1cccc2

STK584860
Synonyms: 3-(3-chlorophenyl)-5-[(2,6-dichlorobenzyl)sulfanyl]-4-(furan-2-ylmethyl)-4H-1,2,4-triazole
Smiles: Clc1cccc(c1)c1nnc(n1Cc1ccco1)SCc1c(Cl)cccc1Cl

STK584861
Synonyms: 3-(2-ethoxyethyl)-9-(4-fluorophenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: CCOCCn1c(=O)n(C)c2c(c1=O)n1CCCN(c1n2)c1ccc(cc1)F

STK584862
Synonyms: N-[2-(dimethylamino)ethyl]-3-(2-methoxyphenyl)-3-methylpentanamide
Smiles: CCC(c1ccccc1OC)(CC(=O)NCCN(C)C)C

STK584863
Synonyms: [1-(4-chlorophenyl)cyclopentyl](6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2(1H)-yl)methanone
Smiles: COc1cc2c(cc1OC)CCN(C2=C)C(=O)C1(CCCC1)c1ccc(cc1)Cl

STK584864
Synonyms: (4E)-5-(4-hydroxy-3-methoxyphenyl)-4-[hydroxy(4-methoxyphenyl)methylidene]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
Smiles: COc1ccc(cc1)/C(=C\1/C(c2ccc(c(c2)OC)O)N(C(=O)C1=O)c1cccc(c1)C(F)(F)F)/O

STK584865
Synonyms: 2-(furan-2-yl)-5,11-dimethyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: CC1CCCc2c1c1c(s2)nc(n2c1nc(n2)c1ccco1)C

STK584866
Synonyms: (3a'S,6a'R)-5-chloro-3'-(3,4-dihydroxybenzyl)-5'-(4-fluorobenzyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: Fc1ccc(cc1)CN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2ccc(c(c2)O)O)C(=O)Nc2c1cc(Cl)cc2

STK584867
Synonyms: N-[3-(4-chlorophenyl)-1-ethyl-4-oxo-1,4-dihydroquinolin-2-yl]furan-2-carboxamide
Smiles: CCn1c(NC(=O)c2ccco2)c(c2ccc(cc2)Cl)c(=O)c2c1cccc2

STK584868
Synonyms: (3R)-N-[(2S)-3-methyl-1-oxo-1-(pentylamino)butan-2-yl]-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
Smiles: CCCCCNC(=O)[C@H](C(C)C)NC(=O)[C@@H]1CSC2N1C(=O)c1c2cccc1

STK584869
Synonyms: 2-{[4-(4-chlorophenyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4-dimethylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1C)C)CSc1nnc(n1c1ccc(cc1)Cl)c1ccccn1

STK584871
Synonyms: N-(3-chlorophenyl)-2-(10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidin-7-ylsulfanyl)acetamide
Smiles: O=C(Nc1cccc(c1)Cl)CSc1nnc2n1c1sc3c(c1c1n2ncn1)CCCC3

STK584873
Synonyms: 2-{[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]pyrimidin-8-yl]amino}ethanol
Smiles: OCCNc1ncnc2c1oc1c2c2CC(C)(C)OCc2c(n1)C(C)C

STK584875
Synonyms: 6-(cyclopentylmethyl)-1-(4-methylphenyl)-2-sulfanyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: Cc1ccc(cc1)n1c(S)nc(=O)c2c1NCN(C2)CC1CCCC1

STK584880
Synonyms: 5-butyl-4-hydroxy-6-methyl-2-phenyl-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one
Smiles: CCCCc1c(C)nc2c(c1O)c(=O)n([nH]2)c1ccccc1

STK584881
Synonyms: 6-amino-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccc(cc1)O)c([nH]n2)c1ccc(cc1)F

STK584882
Synonyms: N-[4-(acetylamino)phenyl]-4-[(4-oxoquinazolin-3(4H)-yl)methyl]cyclohexanecarboxamide
Smiles: CC(=O)Nc1ccc(cc1)NC(=O)C1CCC(CC1)Cn1cnc2c(c1=O)cccc2

STK584883
Synonyms: 5-(2-chlorophenyl)-4-{[(1E,2Z)-2-chloro-3-phenylprop-2-en-1-ylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Cl/C(=C\c1ccccc1)/C=N/n1c(=S)[nH]nc1c1ccccc1Cl

STK584885
Synonyms: N-(3-chloro-4-methoxyphenyl)-2-({4-ethyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Smiles: COc1ccc(cc1Cl)NC(=O)CSc1nnc(n1CC)COc1ccc(cc1)C

STK584888
Synonyms: 3-[(E)-(2-benzylhydrazinylidene)methyl]-2-chloroquinoline
Smiles: Clc1nc2ccccc2cc1/C=N/NCc1ccccc1

STK584891
Synonyms: 2-(2-chlorophenyl)-10-methyl-8-phenyl-11-(pyridin-3-yl)-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Clc1ccccc1c1nn2c(n1)c1c(nc2)Oc2c(C1c1cccnc1)c(C)nn2c1ccccc1

STK584892
Synonyms: (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-{5-[(4-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-[4-(propan-2-yl)phenyl]pyrrolidine-2,3-dione
Smiles: Fc1ccc(cc1)CSc1nnc(s1)N1C(c2ccc(cc2)C(C)C)/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C1=O

STK584893
Synonyms: 5-[3-(benzyloxy)phenyl]-N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]-1H-pyrazole-3-carbohydrazide
Smiles: O=C(c1n[nH]c(c1)c1cccc(c1)OCc1ccccc1)N/N=C/c1c(F)cccc1Cl

STK584895
Synonyms: (5E)-1-(4-fluorophenyl)-5-({[2-(piperidin-1-yl)ethyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: Fc1ccc(cc1)N1C(=NC(=O)/C(=C\NCCN2CCCCC2)/C1=O)S

STK584897
Synonyms: 2-{[4-(4-chlorophenyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dimethoxyphenyl)acetamide
Smiles: COc1cc(NC(=O)CSc2nnc(n2c2ccc(cc2)Cl)c2ccccn2)cc(c1)OC

STK584898
Synonyms: (4E)-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(3-propoxyphenyl)pyrrolidine-2,3-dione
Smiles: CCCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccccc2)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

STK584899
Synonyms: 3'-butyl-6'-hydroxy-3-phenyl-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4'(3'H)-dione
Smiles: CCCCN1C(=O)N=C(C2(C1=O)Cc1ccccc1N1C2CN(CC1)c1ccccc1)O

STK584901
Synonyms: 4-(4-chlorophenyl)-3-[(2,5-dimethylbenzyl)sulfanyl]-5-(3-methoxyphenyl)-4H-1,2,4-triazole
Smiles: COc1cccc(c1)c1nnc(n1c1ccc(cc1)Cl)SCc1cc(C)ccc1C

STK584904
Synonyms: N,N-dimethyl-N'-(5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]furo[2,3-c]isoquinolin-8-yl)ethane-1,2-diamine
Smiles: CCCc1nc2oc3c(c2c2c1CCCC2)ncnc3NCCN(C)C

STK584905
Synonyms: (4Z)-4-({[3-(diethylamino)propyl]amino}methylidene)-2-(4-methylphenyl)isoquinoline-1,3(2H,4H)-dione
Smiles: CCN(CCCN/C=C\1/c2ccccc2C(=O)N(C1=O)c1ccc(cc1)C)CC

STK584908
Synonyms: (2Z)-2-(3-chlorobenzylidene)-7-(morpholin-4-ium-4-ylmethyl)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: Clc1cccc(c1)/C=C/1\Oc2c(C1=O)ccc(c2C[NH+]1CCOCC1)[O-]

STK584910
Synonyms: (2S)-N-(4-acetylphenyl)-2-(4-oxoquinazolin-3(4H)-yl)propanamide
Smiles: O=C([C@@H](n1cnc2c(c1=O)cccc2)C)Nc1ccc(cc1)C(=O)C

STK584911
Synonyms: N-[5-(4-chlorophenyl)-7-(4-methoxyphenyl)-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzamide
Smiles: COc1ccc(cc1)C1C=C(N=c2n1nc([nH]2)NC(=O)c1ccccc1)c1ccc(cc1)Cl

STK584913
Synonyms: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-N-(3,4-dimethylphenyl)acetamide
Smiles: COc1cc2CCN(Cc2cc1OC)CC(=O)Nc1ccc(c(c1)C)C

STK584915
Synonyms: 3-tert-butyl-6'-chloro-6-hydroxy-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4(3H)-dione
Smiles: O=C1N=C(O)C2(C(=O)N1C(C)(C)C)Cc1c(Cl)cccc1N1C2CCC1

STK584916
Synonyms: 2-[(3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-yl)oxy]-N-(pyridin-3-ylmethyl)acetamide
Smiles: O=C(NCc1cccnc1)COc1cc(C)cc2c1c1CCCCc1c(=O)o2

STK584917
Synonyms: 1,3-dimethyl-7-(3-methylbenzyl)-8-(4-methylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CN1CCN(CC1)c1nc2c(n1Cc1cccc(c1)C)c(=O)n(c(=O)n2C)C

STK584918
Synonyms: 2-({4-(4-ethoxyphenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-fluoro-4-methylphenyl)acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(c(c2)F)C)nnc1COc1ccc(cc1)C

STK584920
Synonyms: 2-({4-amino-5-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-chloro-4-methylphenyl)acetamide
Smiles: COc1ccc(cc1)c1[nH]nc(c1)c1nnc(n1N)SCC(=O)Nc1ccc(c(c1)Cl)C

STK584922
Synonyms: 6-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]-N-(propan-2-yl)hexanamide
Smiles: CC(NC(=O)CCCCCN1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1)C

STK584923
Synonyms: (2'S,3S,3'S,10b'R)-2'-(1,3-benzodioxol-5-ylcarbonyl)-3'-(pyridin-2-ylcarbonyl)-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: O=C([C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccc4c(c1)OCO4)C(=O)Nc1c2cccc1)cccc3)c1ccccn1

STK584926
Synonyms: methyl4-[(3E)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-{5-[(2-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4,5-dioxopyrrolidin-2-yl]benzoate
Smiles: COC(=O)c1ccc(cc1)C1N(c2nnc(s2)SCc2ccccc2F)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

STK584927
Synonyms: (5Z)-5-(4-ethylbenzylidene)-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-1,3-thiazol-4(5H)-one
Smiles: CCc1ccc(cc1)/C=C/1\SC(=NC1=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F

STK584928
Synonyms: 6-hydroxy-7-(2-methoxyethyl)-3-methyl-8-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3,7-dihydro-2H-purin-2-one
Smiles: COCCn1c(Sc2scc(n2)C)nc2c1c(O)nc(=O)n2C

STK584929
Synonyms: 5-(2-methoxyphenyl)-4-{[(E)-(4-methoxyphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1ccc(cc1)/C=N/n1c(=S)[nH]nc1c1ccccc1OC

STK584930
Synonyms: 2-bromo-6-methoxy-4-[(E)-{(2Z)-[4-(3-nitrophenyl)-1,3-thiazol-2(3H)-ylidene]hydrazinylidene}methyl]phenol
Smiles: COc1cc(/C=N/N=c/2\scc([nH]2)c2cccc(c2)[N+](=O)[O-])cc(c1O)Br

STK584931
Synonyms: 2-{[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)C)nnc1c1cccc(c1)OC

STK584932
Synonyms: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-{[4-ethyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccccc1c1nnc(n1CC)SCC(=O)Nc1ccc(c(c1)C(F)(F)F)Cl

STK584934
Synonyms: 2-[(3a'S,6a'R)-5'-(3-methoxypropyl)-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]acetamide
Smiles: COCCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CC(=O)N)C(=O)Nc2c1cccc2

STK584936
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(4-ethoxyphenyl)methylidene]-5-(4-propoxyphenyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCCOc1ccc(cc1)c1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccc(cc1)OCC

STK584937
Synonyms: 7-bromo-2-methyl-1-(3,4,5-trimethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1cc(cc(c1OC)OC)C1N(C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)Br

STK584939
Synonyms: tert-butyl(3S)-3-[(3,4-dimethoxybenzyl)carbamoyl]-3,4-dihydroisoquinoline-2(1H)-carboxylate
Smiles: COc1cc(CNC(=O)[C@@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)ccc1OC

STK584940
Synonyms: 5-hydroxy-4-(4-methylphenyl)-2-[(2-methylpropyl)sulfanyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(SCC(C)C)N=C2C(=C(O)CCC2)C1c1ccc(cc1)C

STK584941
Synonyms: (5E)-3-butyl-6-hydroxy-5-(1-{[2-(morpholin-4-yl)ethyl]amino}propylidene)pyrimidine-2,4(3H,5H)-dione
Smiles: CCCCN1C(=O)N=C(/C(=C(\NCCN2CCOCC2)/CC)/C1=O)O

STK584942
Synonyms: 2-({5-[(4-chlorophenoxy)methyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-fluorophenyl)acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccccc2F)nnc1COc1ccc(cc1)Cl

STK584943
Synonyms: N-(3-methoxypropyl)-5,11-dimethyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide
Smiles: COCCCNC(=O)c1nn2c(n1)c1c(nc2C)sc2c1C(C)CCC2

STK584944
Synonyms: 9-[2-(morpholin-4-yl)ethyl]-4-phenyl-9,10-dihydro-2H,8H-chromeno[8,7-e][1,3]oxazin-2-one
Smiles: O=c1cc(c2ccccc2)c2c(o1)c1CN(CCN3CCOCC3)COc1cc2

STK584945
Synonyms: 2-[5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-[(2-methylprop-2-en-1-yl)oxy]phenol
Smiles: COc1ccccc1Oc1cncnc1c1ccc(cc1O)OCC(=C)C

STK584946
Synonyms: 4-(propan-2-yl)-N-(tetrahydrofuran-2-ylmethyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-7-amine
Smiles: CC(c1nc2oc3c(c2c2c1CCC2)ncnc3NCC1CCCO1)C

STK584947
Synonyms: 3-(2-fluorobenzyl)-8-(2-methoxyphenyl)-1-methyl-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
Smiles: COc1ccccc1N1CCn2c1nc1c2c(=O)n(c(=O)n1C)Cc1ccccc1F

STK584949
Synonyms: 5-{[(2Z)-3-(3-chloro-2-methylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-5-oxopentanoicacid
Smiles: OC(=O)CCCC(=O)/N=C/1\SC2C(N1c1cccc(c1C)Cl)CS(=O)(=O)C2

STK584950
Synonyms: 2-({4-amino-5-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(5-chloro-2-methylphenyl)acetamide
Smiles: COc1ccc(cc1)c1[nH]nc(c1)c1nnc(n1N)SCC(=O)Nc1cc(Cl)ccc1C

STK584951
Synonyms: ethyl4-(4-hydroxy-1,7-dimethyl-2-oxo-1,2-dihydro-8H-imidazo[2,1-f]purin-8-yl)benzoate
Smiles: CCOC(=O)c1ccc(cc1)n1c(C)cn2c1nc1c2c(O)nc(=O)n1C

STK584952
Synonyms: (3S,3a'R,8a'S,8b'S)-2'-(2-bromophenyl)-5-ethyl-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(1H,2'H)-trione
Smiles: CCc1ccc2c(c1)[C@@]1(C(=O)N2)N2CCC[C@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccccc1Br

STK584953
Synonyms: N-(3-chloro-2-methylphenyl)-2-{[4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1C)Cl)CSc1nnc(n1c1ccccc1)c1cnccn1

STK584955
Synonyms: 5-(2-hydroxy-5-methylphenyl)-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide
Smiles: Cc1cccc(c1)NC(=O)c1n[nH]c(c1)c1cc(C)ccc1O

STK584956
Synonyms: 13-(4-ethoxyphenyl)-9,10-dimethoxy-3,3-dimethyl-2,3,4,6,7,13-hexahydro-1H-isoquino[2,1-a]quinolin-1-one
Smiles: CCOc1ccc(cc1)C1C=C2N(C3=C1C(=O)CC(C3)(C)C)CCc1c2cc(OC)c(c1)OC

STK584957
Synonyms: N-[(2E)-4,6-dimethylquinazolin-2(1H)-ylidene]-5-(pyridin-3-ylmethyl)-1,4,5,6-tetrahydro-1,3,5-triazin-2-amine
Smiles: Cc1ccc2c(c1)c(C)n/c(=N/C1=NCN(CN1)Cc1cccnc1)/[nH]2

STK584958
Synonyms: N'-[(E)-(2-chloro-7-methylquinolin-3-yl)methylidene]pyridine-4-carbohydrazide
Smiles: Cc1ccc2c(c1)nc(c(c2)/C=N/NC(=O)c1ccncc1)Cl

STK584960
Synonyms: N-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-propylbenzenesulfonamide
Smiles: CCCN(S(=O)(=O)c1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O

STK584961
Synonyms: N-(butan-2-yl)-4-(2-methylpropyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-amine
Smiles: CCC(Nc1ncnc2c1sc1c2c2CCCc2c(n1)CC(C)C)C

STK584962
Synonyms: 5-(2,5-dichlorophenyl)-N'-[(E)-(4-fluorophenyl)methylidene]-1H-pyrazole-3-carbohydrazide
Smiles: Fc1ccc(cc1)/C=N/NC(=O)c1n[nH]c(c1)c1cc(Cl)ccc1Cl

STK584963
Synonyms: 5-(3-fluorophenyl)-2-(3-methoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Smiles: COc1cccc(c1)C1=NN2C(C1)c1ccccc1OC2c1cccc(c1)F

STK584964
Synonyms: 4-butyl-N-[(2E)-5-[(4-fluorobenzyl)sulfonyl]-1,3,4-thiadiazol-2(3H)-ylidene]cyclohexanecarboxamide
Smiles: CCCCC1CCC(CC1)C(=O)/N=c/1\[nH]nc(s1)S(=O)(=O)Cc1ccc(cc1)F

STK584965
Synonyms: methyl4-{[(3Z)-8-methyl-1-propyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]amino}-4-oxobutanoate
Smiles: CCCn1[nH]/c(=N\C(=O)CCC(=O)OC)/c2c1nc1c(C)cccc1c2

STK584966
Synonyms: 4-({[4-(4-ethoxyphenyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Smiles: CCOc1ccc(cc1)n1c(SCc2ccc(cc2)C#N)nnc1c1cccc(c1)C

STK584971
Synonyms: 5-(4-chlorophenyl)-2,4-dihydroxy-1-(2-methoxyethyl)-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)Cl)C(=O)c2c1cccc2)O

STK584973
Synonyms: 7-ethyl-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCn1c(CN2CCN(CC2)c2ccc(cc2)F)nc2c1c(=O)n(c(=O)n2C)C

STK584975
Synonyms: (5E)-5-{1-[(1,3-benzodioxol-5-ylmethyl)amino]propylidene}-6-hydroxy-3-(2-methylphenyl)pyrimidine-2,4(3H,5H)-dione
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccccc1C)O)/NCc1ccc2c(c1)OCO2

STK584977
Synonyms: 2-(9-fluoro-5-oxo-2,3-dihydro[1,3]thiazolo[3',2':1,2]pyrimido[5,4-b]indol-6(5H)-yl)-N-(propan-2-yl)acetamide
Smiles: CC(NC(=O)Cn1c2ccc(cc2c2c1c(=O)n1CCSc1n2)F)C

STK584978
Synonyms: N-(3-fluorophenyl)-2,4-dihydroxy-6,7-dimethoxyquinoline-3-carboxamide
Smiles: COc1cc2nc(O)c(c(c2cc1OC)O)C(=O)Nc1cccc(c1)F

STK584979
Synonyms: 5-(4-methylphenyl)-4-{[(E)-(3-methylphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Cc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1cccc(c1)C

STK584981
Synonyms: 11-methyl-N-[2-(morpholin-4-yl)ethyl]-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)sc2c1C(C)CCC2)NCCN1CCOCC1

STK584982
Synonyms: N-(3-chloro-2-methylphenyl)-2-{[5-(3-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCn1c(SCC(=O)Nc2cccc(c2C)Cl)nnc1c1cccc(c1)Cl

STK584983
Synonyms: 1'-methyl-6'-nitro-1-phenyl-2'-propyl-1',4'-dihydro-2H,2'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(1H,3H)-trione
Smiles: CCCC1N(C)c2ccc(cc2CC21C(=O)NC(=O)N(C2=O)c1ccccc1)[N+](=O)[O-]

STK584984
Synonyms: 4-[(Z)-(4-iminio-7,8-dimethyl-2-oxo-2H-pyrimido[2,1-b][1,3]benzothiazol-3(4H)-ylidene)methyl]phenolate
Smiles: [O-]c1ccc(cc1)/C=C/1\C(=O)N=c2n(C1=[NH2+])c1cc(C)c(cc1s2)C

STK584986
Synonyms: 2-(4-methoxyphenyl)-N-[(2E)-3-(4-methoxyphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]acetamide
Smiles: COc1ccc(cc1)CC(=O)/N=C\1/SC2C(N1c1ccc(cc1)OC)CS(=O)(=O)C2

STK584987
Synonyms: 2',6'-dihydroxy-3-(4-methoxyphenyl)-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-4'-one
Smiles: COc1ccc(cc1)N1CCN2C(C1)C1(Cc3c2cccc3)C(=NC(=NC1=O)O)O

STK584988
Synonyms: 1-(2-chlorophenyl)-2-{[4-(4-methylphenyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Smiles: Cc1ccc(cc1)n1c(SCC(=O)c2ccccc2Cl)nnc1c1cnccn1

STK584989
Synonyms: 2,6-dihydroxy-5-[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]-3-(2-phenylethyl)pyrimidin-4(3H)-one
Smiles: COc1ccc(cc1)/C=C/C(=O)c1c(O)nc(n(c1=O)CCc1ccccc1)O

STK584990
Synonyms: (2Z,5Z)-5-[4-(dimethylamino)benzylidene]-2-[(4-hydroxyphenyl)imino]-2,5-dihydro-1,3-thiazol-4-ol
Smiles: Oc1ccc(cc1)/N=C/1\S/C(=C\c2ccc(cc2)N(C)C)/C(=N1)O

STK584992
Synonyms: (2'S,3S,3'S,10b'R)-3'-[(2,4-dichlorophenyl)carbonyl]-2'-[(4-propoxyphenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: CCCOc1ccc(cc1)C(=O)[C@@H]1[C@@H](C(=O)c2ccc(cc2Cl)Cl)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK584993
Synonyms: N-cyclohexyl-4-oxo-1-phenyl-2-[4-(propan-2-yl)phenyl]azetidine-2-carboxamide
Smiles: O=C1CC(N1c1ccccc1)(C(=O)NC1CCCCC1)c1ccc(cc1)C(C)C

STK584994
Synonyms: methylN-[(1E)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)propyl]tryptophanate
Smiles: COC(=O)C(Cc1c[nH]c2c1cccc2)N/C(=C/1\C(=NC(=NC1=O)O)O)/CC

STK584995
Synonyms: 1-benzyl2-(2-chloro-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)(2S)-pyrrolidine-1,2-dicarboxylate
Smiles: O=C([C@@H]1CCCN1C(=O)OCc1ccccc1)Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3

STK584996
Synonyms: 4-chloro-N-cyclohexyl-N-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzamide
Smiles: Clc1ccc(cc1)C(=O)N(C1CCCCC1)Cc1cc2cc(C)ccc2[nH]c1=O

STK584997
Synonyms: 2-(3-tert-butyl-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)-N-(pyridin-2-ylmethyl)acetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2C)occ1C(C)(C)C)NCc1ccccn1

STK584998
Synonyms: 2-[(3a'S,6a'R)-6-chloro-5'-(4-fluorobenzyl)-7-methyl-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]acetamide
Smiles: NC(=O)CC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)Cc1ccc(cc1)F)C(=O)Nc1c2ccc(c1C)Cl

STK584999
Synonyms: 12-(furan-2-yl)-2-phenyl-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)c1ccccc1

STK585003
Synonyms: N'-[(E)-(2,4-dihydroxyphenyl)methylidene]-5-methoxy-1H-indole-2-carbohydrazide
Smiles: COc1ccc2c(c1)cc([nH]2)C(=O)N/N=C/c1ccc(cc1O)O

STK585004
Synonyms: N-[(2S)-1-{[4-chloro-3-(trifluoromethyl)phenyl]amino}-1-oxopropan-2-yl]-1-[(4-methylphenyl)sulfonyl]piperidine-4-carboxamide
Smiles: Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)N[C@H](C(=O)Nc1ccc(c(c1)C(F)(F)F)Cl)C

STK585005
Synonyms: (2E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-1-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2(1H)-yl)prop-2-en-1-one
Smiles: CCOc1c(Cl)cc(cc1OC)/C=C/C(=O)N1CCc2c(C1=C)cc(c(c2)OC)OC

STK585006
Synonyms: 5-(4-ethoxyphenyl)-4-{[(E)-(3-phenoxyphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCOc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1cccc(c1)Oc1ccccc1

STK585008
Synonyms: 2-{[4-amino-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(10H-phenothiazin-10-yl)ethanone
Smiles: Nn1c(nnc1c1n[nH]c(c1)c1ccccc1)SCC(=O)N1c2ccccc2Sc2c1cccc2

STK585010
Synonyms: (5Z)-6-hydroxy-5-(1-{[2-(piperidin-1-yl)ethyl]amino}propylidene)pyrimidine-2,4(3H,5H)-dione
Smiles: CC/C(=C\1/C(=O)NC(=O)N=C1O)/NCCN1CCCCC1

STK585011
Synonyms: (E)-{1'-[2-(dimethylammonio)ethyl]-1-methyl-2,4',5'-trioxo-1,2-dihydro-3'H-spiro[indole-3,2'-pyrrolidin]-3'-ylidene}[3-(dimethylsulfamoyl)phenyl]methanolate
Smiles: C[NH+](CCN1C(=O)C(=O)/C(=C(\c2cccc(c2)S(=O)(=O)N(C)C)/[O-])/C21C(=O)N(c1c2cccc1)C)C

STK585012
Synonyms: 7-chloro-6-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1-(pyridin-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Cc1onc(c1)N1C(=O)c2c(C1c1ccccn1)c(=O)c1c(o2)cc(c(c1)Cl)C

STK585014
Synonyms: 10-methyl-3-(3-methylbutyl)-2-(3-nitrophenyl)pyrimido[4,5-b]quinoline-4,5(3H,10H)-dione
Smiles: CC(CCn1c(nc2c(c1=O)c(=O)c1c(n2C)cccc1)c1cccc(c1)[N+](=O)[O-])C

STK585015
Synonyms: 5-pentyl-3-(prop-2-en-1-yl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-ylhexanoate
Smiles: CCCCCC(=O)Oc1cn(c2c1c1nc3c(n1c(n2)CCCCC)cccc3)CC=C

STK585016
Synonyms: N-[(2Z)-3-(4-acetylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-phenoxyacetamide
Smiles: O=C(/N=C/1\SC2C(N1c1ccc(cc1)C(=O)C)CS(=O)(=O)C2)COc1ccccc1

STK585017
Synonyms: 2-{[4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone
Smiles: Brc1ccc(cc1)n1c(SCC(=O)c2ccccc2)nnc1c1ccncc1

STK585018
Synonyms: methylN-(prop-2-en-1-ylcarbamoyl)-D-phenylalaninate
Smiles: C=CCNC(=O)N[C@@H](C(=O)OC)Cc1ccccc1

STK585021
Synonyms: 4-(4-ethoxyphenyl)-3-[(3-fluorobenzyl)sulfanyl]-5-(4-methoxyphenyl)-4H-1,2,4-triazole
Smiles: CCOc1ccc(cc1)n1c(SCc2cccc(c2)F)nnc1c1ccc(cc1)OC

STK585022
Synonyms: 9-(3,5-difluorophenyl)-2-methyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: Fc1cc(F)cc(c1)C1C2=C(O)CCCC2=Nc2n1nc(n2)C

STK585024
Synonyms: 2-[2-amino-5-(2-methoxyphenyl)-6-methylpyrimidin-4-yl]-5-[(4-bromobenzyl)oxy]phenol
Smiles: COc1ccccc1c1c(C)nc(nc1c1ccc(cc1O)OCc1ccc(cc1)Br)N

STK585025
Synonyms: 3-(3-hydroxypropyl)-8-(2-methoxyphenyl)-1-methyl-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
Smiles: OCCCn1c(=O)n(C)c2c(c1=O)n1CCN(c1n2)c1ccccc1OC

STK585026
Synonyms: 7,8-dimethyl-4-[(2-methylpiperidin-1-yl)methyl]-2H-chromen-2-one
Smiles: CC1CCCCN1Cc1cc(=O)oc2c1ccc(c2C)C

STK585027
Synonyms: 4-[(2E)-2-{[1-(4-fluorobenzyl)-1H-indol-3-yl]methylidene}hydrazinyl]benzoicacid
Smiles: Fc1ccc(cc1)Cn1cc(c2c1cccc2)/C=N/Nc1ccc(cc1)C(=O)O

STK585028
Synonyms: 8-(4-benzylpiperidin-1-yl)-6-hydroxy-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: OCCn1c(nc2c1c(O)nc(=O)n2C)N1CCC(CC1)Cc1ccccc1

STK585029
Synonyms: 2-(3-tert-butyl-4,9-dimethyl-7-oxo-7H-furo[2,3-f]chromen-8-yl)-N-(propan-2-yl)acetamide
Smiles: CC(NC(=O)Cc1c(=O)oc2c(c1C)c1occ(c1c(c2)C)C(C)(C)C)C

STK585030
Synonyms: 3-(3-chlorophenyl)-7-methyl-2-[(2-methylpropyl)amino]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Smiles: CC(CNc1nc2sc3c(c2c(=O)n1c1cccc(c1)Cl)CCN(C3)C)C

STK585031
Synonyms: N-[4-(acetylamino)phenyl]-6-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)hexanamide
Smiles: O=C(Nc1ccc(cc1)NC(=O)C)CCCCCn1nnc2c(c1=O)cccc2

STK585033
Synonyms: 5-(3-ethoxyphenyl)-4-{[(1E,2E)-3-(furan-2-yl)prop-2-en-1-ylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCOc1cccc(c1)c1n[nH]c(=S)n1/N=C/C=C/c1ccco1

STK585034
Synonyms: 7-(furan-2-yl)-5-hydroxy-2-methyl-N-(pyridin-2-yl)-4-(thiophen-3-yl)-4,6,7,8-tetrahydroquinoline-3-carboxamide
Smiles: CC1=C(C(=O)Nc2ccccn2)C(C2=C(CC(CC2=N1)c1ccco1)O)c1ccsc1

STK585036
Synonyms: 3-methoxy-N-(2-methylpropyl)-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzamide
Smiles: COc1cccc(c1)C(=O)N(Cc1cc2ccccc2[nH]c1=O)CC(C)C

STK585037
Synonyms: 5-(3,5-dimethylphenyl)-3-(2-hydroxyphenyl)-1-(1H-indol-3-ylmethyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylicacid
Smiles: Cc1cc(C)cc(c1)N1C(=O)C2C(C1=O)C(NC2c1ccccc1O)(Cc1c[nH]c2c1cccc2)C(=O)O

STK585038
Synonyms: 8-(3-chloro-2-methylphenyl)-1-methyl-3-(2-methylpropyl)-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
Smiles: CC(Cn1c(=O)n(C)c2c(c1=O)n1CCN(c1n2)c1cccc(c1C)Cl)C

STK585041
Synonyms: (E)-(4-chlorophenyl){1-[4-(dimethylammonio)phenyl]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: Clc1ccc(cc1)/C(=C\1/C(c2cccc(c2)[N+](=O)[O-])N(C(=O)C1=O)c1ccc(cc1)[NH+](C)C)/[O-]

STK585042
Synonyms: N-(biphenyl-2-yl)-2-{[5-(2-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: Cc1ccc(cc1)n1c(SCC(=O)Nc2ccccc2c2ccccc2)nnc1c1ccccc1Cl

STK585045
Synonyms: 3-[(4-bromobenzyl)sulfanyl]-5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole
Smiles: Brc1ccc(cc1)CSc1nnc(n1Cc1ccco1)c1cccc(c1)Cl

STK585046
Synonyms: (5E)-6-hydroxy-5-(1-{[2-(1H-indol-3-yl)ethyl]amino}propylidene)-3-(2-methylphenyl)pyrimidine-2,4(3H,5H)-dione
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccccc1C)O)/NCCc1c[nH]c2c1cccc2

STK585048
Synonyms: N-[(6-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-4-methyl-N-(3-methylphenyl)benzenesulfonamide
Smiles: COc1ccc2c(c1)cc(c(=O)[nH]2)CN(S(=O)(=O)c1ccc(cc1)C)c1cccc(c1)C

STK585051
Synonyms: N-{(2S)-1-[(2-methoxyethyl)amino]-1-oxopropan-2-yl}-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
Smiles: COCCNC(=O)[C@@H](NC(=O)C1CN(C(=O)C1)c1ccc(cc1)OC)C

STK585052
Synonyms: tert-butyl[(1S)-1-{5-[(3-methylbut-2-en-1-yl)sulfanyl]-1,3,4-oxadiazol-2-yl}-2-phenylethyl]carbamate
Smiles: O=C(OC(C)(C)C)N[C@H](c1nnc(o1)SCC=C(C)C)Cc1ccccc1

STK585053
Synonyms: (3R,3'S,3a'S,6a'R)-5'-(4-methylphenyl)-3'-(propan-2-yl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: CC([C@@H]1N[C@@]2([C@H]3[C@@H]1C(=O)N(C3=O)c1ccc(cc1)C)C(=O)Nc1c2cccc1)C

STK585054
Synonyms: 8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-[4-(methoxycarbonyl)phenoxy]-2-methyl-4-oxo-4H-chromen-7-olate
Smiles: CCN1CC[NH+](CC1)Cc1c([O-])ccc2c1oc(C)c(c2=O)Oc1ccc(cc1)C(=O)OC

STK585055
Synonyms: 4-{[(E)-(5-bromo-2-methoxyphenyl)methylidene]amino}-5-(3-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1ccc(cc1/C=N/n1c(=S)[nH]nc1c1cccc(c1)C)Br

STK585057
Synonyms: 2-(6-chloro-7-methoxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-(pyridin-4-ylmethyl)acetamide
Smiles: COc1cc2oc(=O)c(c(c2cc1Cl)C)CC(=O)NCc1ccncc1

STK585058
Synonyms: 7'-[(1,3-diethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-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)-trione
Smiles: CCN1C(=O)C(=Cc2ccc3c(c2)CC2(C4N3CCC4)C(=O)N(C)C(=O)N(C2=O)C)C(=O)N(C1=O)CC

STK585059
Synonyms: (5Z)-3-cyclohexyl-6-hydroxy-5-[(2-phenyl-1H-indol-3-yl)methylidene]pyrimidine-2,4(3H,5H)-dione
Smiles: O=C1N=C(O)/C(=C/c2c([nH]c3c2cccc3)c2ccccc2)/C(=O)N1C1CCCCC1

STK585060
Synonyms: 3,4,5-trimethoxy-N-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(tetrahydrofuran-2-ylmethyl)benzamide
Smiles: COc1cc(cc(c1OC)OC)C(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)CC1CCCO1

STK585064
Synonyms: (2E)-N-[(2E)-1,3-benzothiazol-2(3H)-ylidene]-3-[4-(benzyloxy)-3-methoxyphenyl]prop-2-enamide
Smiles: COc1cc(/C=C/C(=O)/N=c\2/sc3c([nH]2)cccc3)ccc1OCc1ccccc1

STK585066
Synonyms: N-[5-(4-chlorophenyl)-7-(4-fluorophenyl)-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzenesulfonamide
Smiles: Fc1ccc(cc1)C1C=C(N=c2n1nc([nH]2)NS(=O)(=O)c1ccccc1)c1ccc(cc1)Cl

STK585067
Synonyms: 2-methyl-1-(pyridin-4-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CN1C(=O)c2c(C1c1ccncc1)c(=O)c1c(o2)cccc1

STK585070
Synonyms: N-[3-(4-chlorophenyl)-1-methyl-4-oxo-1,4-dihydroquinolin-2-yl]butanamide
Smiles: CCCC(=O)Nc1c(c2ccc(cc2)Cl)c(=O)c2c(n1C)cccc2

STK585071
Synonyms: 8-ethyl-5-(pyrrolidin-1-yl)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidine
Smiles: CCN1CCc2c(C1)sc1c2c(nc2n1nnn2)N1CCCC1

STK585072
Synonyms: N-(2-cyclohexyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-8-yl)methanesulfonamide
Smiles: CS(=O)(=O)Nc1ccc2c(c1)nc1n2CCN(C1)C1CCCCC1

STK585073
Synonyms: 4-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-6-chloro-7-hydroxy-2H-chromen-2-one
Smiles: O=c1cc(CN2CCN(CC2)Cc2ccc3c(c2)OCO3)c2c(o1)cc(c(c2)Cl)O

STK585074
Synonyms: 7-(4-chlorobenzyl)-6-hydroxy-3-methyl-8-[4-(3-methylbutyl)piperazin-1-yl]-3,7-dihydro-2H-purin-2-one
Smiles: CC(CCN1CCN(CC1)c1nc2c(n1Cc1ccc(cc1)Cl)c(O)nc(=O)n2C)C

STK585076
Synonyms: (3a'S,6a'R)-5'-tert-butyl-7-chloro-3'-methyl-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: CC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)C(C)(C)C)C(=O)Nc1c2cccc1Cl

STK585077
Synonyms: 4-{[(E)-(4-ethoxy-3-methoxyphenyl)methylidene]amino}-5-[3-(propan-2-yloxy)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCOc1ccc(cc1OC)/C=N/n1c(=S)[nH]nc1c1cccc(c1)OC(C)C

STK585078
Synonyms: 8-[(4-benzylpiperazin-1-yl)amino]-6-hydroxy-7-[2-hydroxy-3-(4-methylphenoxy)propyl]-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: OC(Cn1c(NN2CCN(CC2)Cc2ccccc2)nc2c1c(O)nc(=O)n2C)COc1ccc(cc1)C

STK585079
Synonyms: 4-[(E)-{[3-(2-fluorophenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]-2-methoxyphenylacetate
Smiles: COc1cc(ccc1OC(=O)C)/C=N/n1c(=S)[nH]nc1c1ccccc1F

STK585081
Synonyms: 4-chloro-N-[(2Z)-6-methoxy-1,3-benzothiazol-2(3H)-ylidene]benzamide
Smiles: COc1ccc2c(c1)s/c(=N\C(=O)c1ccc(cc1)Cl)/[nH]2

STK585083
Synonyms: 6,7-dimethoxy-2-(3-nitrobenzyl)-1,2,3,4-tetrahydroisoquinoline
Smiles: COc1cc2CCN(Cc2cc1OC)Cc1cccc(c1)[N+](=O)[O-]

STK585085
Synonyms: N-[3-(morpholin-4-yl)propyl]-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide
Smiles: O=C(c1nn2c(n1)c1c(nc2)sc2c1CCC2)NCCCN1CCOCC1

STK585088
Synonyms: 8-(3-chlorophenyl)-10-methyl-2-(2-methylphenyl)-11-(pyridin-3-yl)-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Clc1cccc(c1)n1nc(c2c1Oc1ncn3c(c1C2c1cccnc1)nc(n3)c1ccccc1C)C

STK585090
Synonyms: 7-cyclohexyl-5-(4-methylpiperazin-1-yl)-6,7,8,9-tetrahydro-3H-pyrazolo[3,4-c][2,7]naphthyridin-1-amine
Smiles: CN1CCN(CC1)c1nc2[nH]nc(c2c2c1CN(CC2)C1CCCCC1)N

STK585091
Synonyms: N-(1',3'-dimethyl-2',4',6'-trioxo-1',2,3,3',4,4',4a,6'-octahydro-1H,2'H,6H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidin]-8-yl)acetamide
Smiles: CC(=O)Nc1ccc2c(c1)CC1(C3N2CCCC3)C(=O)N(C)C(=O)N(C1=O)C

STK585092
Synonyms: 3-methoxy-N-[(7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(2-methylpropyl)benzamide
Smiles: COc1cccc(c1)C(=O)N(Cc1cc2ccc(cc2[nH]c1=O)C)CC(C)C

STK585094
Synonyms: 3-[(4-{[4-(3-chlorophenyl)piperazin-1-yl]carbonyl}cyclohexyl)methyl]-1,2,3-benzotriazin-4(3H)-one
Smiles: Clc1cccc(c1)N1CCN(CC1)C(=O)C1CCC(CC1)Cn1nnc2c(c1=O)cccc2

STK585095
Synonyms: 2-{[4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Smiles: O=C(Nc1cccc(c1)C(F)(F)F)CSc1nnc(n1Cc1ccco1)Cc1cccs1

STK585096
Synonyms: (2'S,3S,3'S,10b'R)-3'-(1,3-benzodioxol-5-ylcarbonyl)-2'-(1-benzofuran-2-ylcarbonyl)-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: O=C([C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1cc4c(o1)cccc4)C(=O)Nc1c2cccc1)cccc3)c1ccc2c(c1)OCO2

STK585097
Synonyms: 6-hydroxy-8-[(2-hydroxyethyl)amino]-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: OCCNc1nc2c(n1CC(COc1cccc(c1)C)O)c(O)nc(=O)n2C

STK585099
Synonyms: 3-[(2,2,5-trimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-8-yl)amino]propan-1-ol
Smiles: OCCCNc1ncnc2c1oc1c2c2CC(C)(C)OCc2c(n1)C

STK585100
Synonyms: N-[2-({(1E)-1-[4-hydroxy-2,6-dioxo-1-(prop-2-en-1-yl)-1,6-dihydropyrimidin-5(2H)-ylidene]propyl}amino)phenyl]acetamide
Smiles: C=CCN1C(=O)N=C(/C(=C(\Nc2ccccc2NC(=O)C)/CC)/C1=O)O

STK585102
Synonyms: 4-{[(E)-(3,4-dimethoxyphenyl)methylidene]amino}-5-[3-(propan-2-yloxy)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1ccc(cc1OC)/C=N/n1c(=S)[nH]nc1c1cccc(c1)OC(C)C

STK585103
Synonyms: 1-(4-chlorophenyl)-4-(4-fluorophenyl)-N-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: COc1ccc(cc1)NC(=O)c1c(c2ccc(cc2)Cl)c2c3n1cc(n3CCCC2)c1ccc(cc1)F

STK585104
Synonyms: 2-[(2E)-2-(2-carbamoylhydrazinylidene)cyclohexyl]pyridine-4-carboxylicacid
Smiles: NC(=O)N/N=C/1\CCCCC1c1nccc(c1)C(=O)O

STK585105
Synonyms: (2'S,3S,3'S,10b'R)-3'-[(4-fluorophenyl)carbonyl]-2'-[(4-methylphenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: Cc1ccc(cc1)C(=O)[C@@H]1[C@@H](C(=O)c2ccc(cc2)F)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK585107
Synonyms: 4-(4-methoxyphenyl)-3-[(3-methylbenzyl)sulfanyl]-5-(3-methylphenyl)-4H-1,2,4-triazole
Smiles: COc1ccc(cc1)n1c(nnc1c1cccc(c1)C)SCc1cccc(c1)C

STK585109
Synonyms: 4-{[(E)-(2-bromophenyl)methylidene]amino}-5-[4-(dimethylamino)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Brc1ccccc1/C=N/n1c(=S)[nH]nc1c1ccc(cc1)N(C)C

STK585111
Synonyms: (4E)-1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-[3-(prop-2-en-1-yloxy)phenyl]pyrrolidine-2,3-dione
Smiles: C=CCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1sc(c(n1)C)C(=O)C

STK585117
Synonyms: 2,2,5-trimethyl-N-(2-methylpropyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-8-amine
Smiles: CC(CNc1ncnc2c1oc1c2c2CC(C)(C)OCc2c(n1)C)C

STK585118
Synonyms: 2-methoxy-6-[4-(2-methoxy-4-methylphenoxy)quinazolin-2-yl]phenol
Smiles: COc1cc(C)ccc1Oc1nc(nc2c1cccc2)c1cccc(c1O)OC

STK585119
Synonyms: N-[(2Z)-3-(5-chloro-2,4-dimethoxyphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]propanamide
Smiles: CCC(=O)/N=C/1\SC2C(N1c1cc(Cl)c(cc1OC)OC)CS(=O)(=O)C2

STK585120
Synonyms: 6-cyclohexyl-1-(3-methylphenyl)-2-sulfanyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: Cc1cccc(c1)n1c(S)nc(=O)c2c1NCN(C2)C1CCCCC1

STK585121
Synonyms: 2-({4-amino-5-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,4-dichlorophenyl)acetamide
Smiles: Clc1ccc(cc1)c1[nH]nc(c1)c1nnc(n1N)SCC(=O)Nc1ccc(cc1Cl)Cl

STK585122
Synonyms: 1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-ylN-[(4-methylphenyl)sulfonyl]norvalinate
Smiles: CCCC(C(=O)Oc1cc(O)c2c(c1)oc1c(c2=O)cccc1C)NS(=O)(=O)c1ccc(cc1)C

STK585124
Synonyms: (3a'S,6a'R)-5'-tert-butyl-7-chloro-3'-[2-(methylsulfanyl)ethyl]-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: CSCCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)C(C)(C)C)C(=O)Nc1c2cccc1Cl

STK585125
Synonyms: 7-fluoro-2-(6-fluoro-1,3-benzothiazol-2-yl)-1-(3-hydroxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Oc1cccc(c1)C1N(c2sc3c(n2)ccc(c3)F)C(=O)c2c1c(=O)c1c(o2)ccc(c1)F

STK585126
Synonyms: 7-(2-fluorobenzyl)-8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Fc1ccccc1Cn1c(CN2CCN(CC2)c2ccccc2F)nc2c1c(=O)n(c(=O)n2C)C

STK585127
Synonyms: (5,6-dimethoxy-1H-indol-2-yl)[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
Smiles: COc1cc2[nH]c(cc2cc1OC)C(=O)N1CCN(CC1)c1cccc(c1C)C

STK585129
Synonyms: N-butyl-4-chloro-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzamide
Smiles: CCCCN(C(=O)c1ccc(cc1)Cl)Cc1cc2ccccc2[nH]c1=O

STK585130
Synonyms: N-(2,5-dimethylphenyl)-N-[(6-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzenesulfonamide
Smiles: COc1ccc2c(c1)cc(c(=O)[nH]2)CN(S(=O)(=O)c1ccccc1)c1cc(C)ccc1C

STK585131
Synonyms: 5-(5-acetyl-4-phenyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-ylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CN1C(=O)N(C)C(=O)C(=C2Nc3ccccc3N(C(C2)c2ccccc2)C(=O)C)C1=O

STK585132
Synonyms: 8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(CCn1c(CN2CCN(CC2)c2ccc(cc2)F)nc2c1c(=O)n(c(=O)n2C)C)C

STK585134
Synonyms: {4-[(3aR,4R,4aR,7aS,8R,8aR)-6-(3-chloro-4-fluorophenyl)-5,7-dioxo-4,4a,5,6,7,7a,8,8a-octahydro-3aH-4,8-methano[1,2]oxazolo[4,5-f]isoindol-3-yl]phenoxy}acetonitrile
Smiles: N#CCOc1ccc(cc1)C1=NO[C@H]2[C@@H]1[C@@H]1C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(c(c1)Cl)F

STK585137
Synonyms: (3E)-3-[1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxo-2-sulfanyl-1,5-dihydro-4H-imidazol-4-ylidene]-1,3-dihydro-2H-indol-2-one
Smiles: CCOc1ccc2c(c1)sc(n2)N1C(=N/C(=C\2/C(=O)Nc3c2cccc3)/C1=O)S

STK585138
Synonyms: 4-{[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl}-2-oxo-7-phenyl-2H-chromen-6-olate
Smiles: COc1ccccc1N1CC[NH+](CC1)Cc1cc(=O)oc2c1cc([O-])c(c2)c1ccccc1

STK585139
Synonyms: 8-methyl-3-{(E)-[2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl}quinolin-2-ol
Smiles: Oc1nc2c(C)cccc2cc1/C=N/Nc1ncnc2c1c1CCCCc1s2

STK585141
Synonyms: N-(3-chlorophenyl)-2-{[6-cyano-8,8-dimethyl-5-(phenylamino)-7,10-dihydro-8H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl}acetamide
Smiles: N#Cc1c(Nc2ccccc2)n2c(SCC(=O)Nc3cccc(c3)Cl)nnc2c2c1CC(C)(C)OC2

STK585143
Synonyms: 5,7-dimethyl-N-(naphthalen-2-yl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
Smiles: Cc1cc(C)n2c(n1)nc(n2)C(=O)Nc1ccc2c(c1)cccc2

STK585144
Synonyms: 2-(3-tert-butyl-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)-N-(tetrahydrofuran-2-ylmethyl)acetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)occ1C(C)(C)C)NCC1CCCO1

STK585146
Synonyms: (1'R,2'R)-2'-(3-chlorophenyl)-1'-(phenylcarbonyl)-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione
Smiles: Clc1cccc(c1)[C@H]1[C@H](C(=O)c2ccccc2)N2C([C@@]31C(=O)c1c(C3=O)cccc1)C=Cc1c2cccc1

STK585147
Synonyms: 8-(4-benzylpiperidin-1-yl)-6-hydroxy-3-methyl-7-{3-[(4-methylpyrimidin-2-yl)sulfanyl]propyl}-3,7-dihydro-2H-purin-2-one
Smiles: Cc1ccnc(n1)SCCCn1c(nc2c1c(O)nc(=O)n2C)N1CCC(CC1)Cc1ccccc1

STK585148
Synonyms: 5-(2-bromophenyl)-4-{[(E)-(2-methoxynaphthalen-1-yl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1ccc2c(c1/C=N/n1c(=S)[nH]nc1c1ccccc1Br)cccc2

STK585151
Synonyms: 3'-[2-(3,4-dimethoxyphenyl)ethyl]-6'-hydroxy-3-methyl-8-nitro-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4'(3'H)-dione
Smiles: COc1ccc(cc1OC)CCN1C(=O)N=C(C2(C1=O)Cc1cc(ccc1N1C2CN(C)CC1)[N+](=O)[O-])O

STK585152
Synonyms: 1-(4-chlorophenyl)-4-(4-fluorophenyl)-N-(2-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: COc1ccccc1NC(=O)c1c(c2ccc(cc2)Cl)c2c3n1cc(n3CCCC2)c1ccc(cc1)F

STK585154
Synonyms: N-(3,5-dichlorophenyl)-2-({5-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Smiles: O=C(Nc1cc(Cl)cc(c1)Cl)CSc1nnc(n1c1ccc(cc1)C)COc1ccc(cc1)C

STK585156
Synonyms: 2-{1,3-dimethyl-2,6-dioxo-8-[(4-phenylpiperazin-1-yl)methyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}acetamide
Smiles: NC(=O)Cn1c(CN2CCN(CC2)c2ccccc2)nc2c1c(=O)n(c(=O)n2C)C

STK585157
Synonyms: (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-[3-(3-methylbutoxy)phenyl]-1-{5-[(naphthalen-1-ylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-2,3-dione
Smiles: CC(CCOc1cccc(c1)C1N(c2nnc(s2)SCc2cccc3c2cccc3)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O)C

STK585158
Synonyms: 3-(2-chlorophenyl)-4-oxo-8-(piperidinium-1-ylmethyl)-4H-chromen-7-olate
Smiles: [O-]c1ccc2c(c1C[NH+]1CCCCC1)occ(c2=O)c1ccccc1Cl

STK585160
Synonyms: 6-tert-butyl-1-(4-methoxyphenyl)-3-methyl-1,7-dihydro-4H-pyrazolo[3,4-b]pyridin-4-one
Smiles: COc1ccc(cc1)n1nc(c2c1[nH]c(cc2=O)C(C)(C)C)C

STK585161
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(4-ethoxy-3-methoxyphenyl)methylidene]-5-{[methyl(phenyl)amino]methyl}-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCOc1ccc(cc1OC)/C=N/NC(=O)c1nnn(c1CN(c1ccccc1)C)c1nonc1N

STK585162
Synonyms: (4E)-5-(3-fluorophenyl)-1-hexyl-4-[hydroxy(4-methylphenyl)methylidene]pyrrolidine-2,3-dione
Smiles: CCCCCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)C)/O)/C1c1cccc(c1)F

STK585163
Synonyms: 1-(2-methoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1ccccc1C1N(c2noc(c2)C)C(=O)c2c1c(=O)c1c(o2)cccc1

STK585164
Synonyms: 2-(1,3-benzothiazol-2-yl)-1-(3-fluorophenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Fc1cccc(c1)C1N(c2nc3c(s2)cccc3)C(=O)c2c1c(=O)c1c(o2)cccc1

STK585165
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-propoxyphenyl)-N'-{(E)-[2-(trifluoromethyl)phenyl]methylidene}-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCCOc1ccc(cc1)c1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccccc1C(F)(F)F

STK585167
Synonyms: 2-{[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide
Smiles: O=C(Nc1cccc2c1cccc2)CSc1nnc(n1N)c1n[nH]c(c1)C

STK585168
Synonyms: N,N-diethyl-2,2-dimethyl-5-propyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-8-amine
Smiles: CCCc1nc2oc3c(c2c2c1COC(C2)(C)C)ncnc3N(CC)CC

STK585169
Synonyms: N-cyclopentyl-N~2~-{[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]carbonyl}-L-valinamide
Smiles: CC([C@@H](C(=O)NC1CCCC1)NC(=O)C1CC(=O)N(C1)c1ccc2c(c1)OCCO2)C

STK585170
Synonyms: 12-(3,4-dimethoxyphenyl)-2-methyl-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
Smiles: COc1ccc(cc1OC)C1C2=C(CCCC2=O)Oc2c1c1nc(nn1cn2)C

STK585171
Synonyms: 5-(4-ethoxyphenyl)-4-[(2E)-2-(2-fluorobenzylidene)hydrazinyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCOc1ccc(cc1)c1n[nH]c(=S)n1N/N=C/c1ccccc1F

STK585173
Synonyms: 2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,5-dichlorophenyl)acetamide
Smiles: O=C(Nc1cc(Cl)ccc1Cl)CSc1nnc(n1C)c1cccc(c1)Cl

STK585176
Synonyms: 4-nitro-N-[(2Z)-5-propyl-1,3,4-thiadiazol-2(3H)-ylidene]benzamide
Smiles: CCCc1n[nH]/c(=N/C(=O)c2ccc(cc2)[N+](=O)[O-])/s1

STK585182
Synonyms: (4E)-4-({[3-(diethylamino)propyl]amino}methylidene)-2-(4-methoxyphenyl)isoquinoline-1,3(2H,4H)-dione
Smiles: CCN(CCCN/C=C/1\c2ccccc2C(=O)N(C1=O)c1ccc(cc1)OC)CC

STK585185
Synonyms: (3aR,6aS)-3-(2,5-dimethoxyphenyl)-5-(2,3-dimethylphenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: COc1ccc(c(c1)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1cccc(c1C)C)OC

STK585187
Synonyms: (3a'S,6a'R)-3'-(3,4-dihydroxybenzyl)-5-fluoro-5'-(4-fluorobenzyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: Fc1ccc(cc1)CN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2ccc(c(c2)O)O)C(=O)Nc2c1cc(F)cc2

STK585188
Synonyms: 2-[(3a'S,6a'R)-5'-benzyl-5-fluoro-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]acetamide
Smiles: NC(=O)CC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)Cc1ccccc1)C(=O)Nc1c2cc(F)cc1

STK585189
Synonyms: 9-(5-methyl-1,2-oxazol-3-yl)-8-(4-methylphenyl)-8,9-dihydrobenzo[7,8]chromeno[2,3-c]pyrrole-7,10-dione
Smiles: Cc1ccc(cc1)C1N(c2noc(c2)C)C(=O)c2c1c(=O)c1c(o2)c2ccccc2cc1

STK585192
Synonyms: (4E)-4-({[(1-ethylpyrrolidin-2-yl)methyl]amino}methylidene)-2-(2-methoxyphenyl)isoquinoline-1,3(2H,4H)-dione
Smiles: CCN1CCCC1CN/C=C/1\c2ccccc2C(=O)N(C1=O)c1ccccc1OC

STK585195
Synonyms: N-{(1Z)-1-[2-(butylamino)-1-cyano-2-oxoethylidene]-1H-isoindol-3-yl}-2-chlorobenzamide
Smiles: CCCCNC(=O)/C(=C/1\N=C(c2c1cccc2)NC(=O)c1ccccc1Cl)/C#N

STK585196
Synonyms: 1-cyclohexyl-2-hydroxy-1',2',3',3a'-tetrahydro-4H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-4,6(1H)-dione
Smiles: OC1=NC(=O)C2(C(=O)N1C1CCCCC1)Cc1ccccc1N1C2CCC1

STK585197
Synonyms: (E)-{2-(4-bromophenyl)-1-[4-(dimethylammonio)phenyl]-4,5-dioxopyrrolidin-3-ylidene}(4-methylphenyl)methanolate
Smiles: Brc1ccc(cc1)C1/C(=C(/c2ccc(cc2)C)\[O-])/C(=O)C(=O)N1c1ccc(cc1)[NH+](C)C

STK585198
Synonyms: 8-(4-benzylpiperazin-1-yl)-1,3-dimethyl-7-{2-[(4-methylpyrimidin-2-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cc1ccnc(n1)SCCn1c(nc2c1c(=O)n(c(=O)n2C)C)N1CCN(CC1)Cc1ccccc1

STK585199
Synonyms: N-(2-ethylphenyl)-2-{[4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1cccc(c1)c1nnc(n1Cc1ccco1)SCC(=O)Nc1ccccc1CC

STK585201
Synonyms: 4-fluoro-N-(4-methoxyphenyl)-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzenesulfonamide
Smiles: COc1ccc(cc1)N(S(=O)(=O)c1ccc(cc1)F)Cc1cc2ccccc2[nH]c1=O

STK585202
Synonyms: 3-(3-chlorophenyl)-5-[(3-fluorobenzyl)sulfanyl]-4-(furan-2-ylmethyl)-4H-1,2,4-triazole
Smiles: Fc1cccc(c1)CSc1nnc(n1Cc1ccco1)c1cccc(c1)Cl

STK585203
Synonyms: 4-(4-chlorophenyl)-1-(4-methylphenyl)-4,7-dihydrofuro[3,4-b]pyridine-2,5(1H,3H)-dione
Smiles: Cc1ccc(cc1)N1C(=O)CC(C2=C1COC2=O)c1ccc(cc1)Cl

STK585205
Synonyms: 1-tert-butyl4-(3,4,8-trimethyl-2-oxo-2H-chromen-7-yl)piperidine-1,4-dicarboxylate
Smiles: O=C(C1CCN(CC1)C(=O)OC(C)(C)C)Oc1ccc2c(c1C)oc(=O)c(c2C)C

STK585207
Synonyms: 8-benzyl-N-(pyridin-3-ylmethyl)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5-amine
Smiles: c1ccc(cc1)CN1CCc2c(C1)sc1c2c(NCc2cccnc2)nc2n1nnn2

STK585208
Synonyms: (5Z)-3-(butan-2-yl)-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}-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: CCC(N1C(=O)N=C(/C(=C/Nc2ccc3c(c2)CC2(C4N3CCN(C4)C)C(=NC(=NC2=O)O)O)/C1=O)O)C

STK585209
Synonyms: 2-{[4-amino-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-dimethoxyphenyl)acetamide
Smiles: COc1cc(ccc1OC)NC(=O)CSc1nnc(n1N)c1n[nH]c(c1)c1ccccc1

STK585210
Synonyms: 5-{[(3Z)-7-methyl-1-propyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]amino}-5-oxopentanoicacid
Smiles: CCCn1[nH]/c(=N\C(=O)CCCC(=O)O)/c2c1nc1cc(C)ccc1c2

STK585214
Synonyms: N-(butan-2-ylcarbamoyl)-D-leucine
Smiles: CCC(NC(=O)N[C@@H](C(=O)O)CC(C)C)C

STK585215
Synonyms: 14-(4-ethoxyphenyl)-3,3-dimethyl-2,3,4,6,7,14-hexahydro-1H-[1,3]dioxolo[6,7]isoquino[2,1-a]quinolin-1-one
Smiles: CCOc1ccc(cc1)C1C=C2N(C3=C1C(=O)CC(C3)(C)C)CCc1c2cc2OCOc2c1

STK585216
Synonyms: N-(furan-2-ylmethyl)-4-methyl-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)N(Cc1cc2ccccc2[nH]c1=O)Cc1ccco1

STK585217
Synonyms: 2-{[4-(4-methylphenyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-sulfamoylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)S(=O)(=O)N)CSc1nnc(n1c1ccc(cc1)C)c1cnccn1

STK585218
Synonyms: 3-[(4-tert-butylbenzyl)sulfanyl]-4-methyl-5-(3-methylphenyl)-4H-1,2,4-triazole
Smiles: Cc1cccc(c1)c1nnc(n1C)SCc1ccc(cc1)C(C)(C)C

STK585221
Synonyms: S-benzyl-N-[(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]-L-cysteinyl-beta-alanine
Smiles: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2C)oc2c1CCCC2)N[C@H](C(=O)NCCC(=O)O)CSCc1ccccc1

STK585224
Synonyms: 4-amino-7'-oxo-2',3',6,6',7,7',11,12-octahydro-10H-spiro[1,4-dioxepino[2,3-g]pyrido[2,1-a]isoquinoline-2,8'-[1,4]dioxino[2,3-f]indole]-3-carbonitrile
Smiles: N#CC1=C(N)N2CCc3c(C2=CC21C(=O)Nc1c2cc2OCCOc2c1)cc1c(c3)OCCCO1

STK585225
Synonyms: 4-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
Smiles: C1COC2(O1)CCN(CC2)c1ncnc2c1c1CCCCc1s2

STK585226
Synonyms: (3S,3a'R,8a'S,8b'S)-2'-benzyl-7-ethyl-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(1H,2'H)-trione
Smiles: CCc1cccc2c1NC(=O)[C@]12N2CCC[C@H]2[C@@H]2[C@H]1C(=O)N(C2=O)Cc1ccccc1

STK585227
Synonyms: N-{[(2Z)-6-butyl-1,3-benzothiazol-2(3H)-ylidene]carbamothioyl}propanamide
Smiles: CCCCc1ccc2c(c1)s/c(=N\C(=S)NC(=O)CC)/[nH]2

STK585228
Synonyms: 5-(4-ethoxyphenyl)-4-{[(E)-phenylmethylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCOc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1ccccc1

STK585229
Synonyms: N-(3-hydroxypropyl)-2-[(7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl)oxy]acetamide
Smiles: OCCCNC(=O)COc1cc(C)cc2c1c1CCCc1c(=O)o2

STK585230
Synonyms: 5,10-dimethyl-N-[3-(morpholin-4-yl)propyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide
Smiles: CC1CCc2c(C1)c1c(s2)nc(n2c1nc(n2)C(=O)NCCCN1CCOCC1)C

STK585231
Synonyms: 8-(4-benzylpiperidin-1-yl)-7-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethyl}-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: Cc1cc(C)nc(n1)SCCn1c(nc2c1c(O)nc(=O)n2C)N1CCC(CC1)Cc1ccccc1

STK585233
Synonyms: N-[1-(4-fluorobenzyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]acetamide
Smiles: CC(=O)NC1(C(=O)N(C2=C1C(=O)CC(C2)(C)C)Cc1ccc(cc1)F)C(F)(F)F

STK585234
Synonyms: 2-{[4-(4-chlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
Smiles: O=C(Nc1ccccc1F)CSc1nnc(n1c1ccc(cc1)Cl)c1cccnc1

STK585235
Synonyms: 2-(benzylsulfanyl)-9-(2-nitrophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: [O-][N+](=O)c1ccccc1C1C2=C(O)CCCC2=Nc2n1nc(n2)SCc1ccccc1

STK585237
Synonyms: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[4-(4-methoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1COc1ccccc1

STK585238
Synonyms: N-cyclohexyl-3-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]propanamide
Smiles: O=C(NC1CCCCC1)CCN1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1

STK585239
Synonyms: 4-[7-(3,4-dichlorophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]phenol
Smiles: Oc1ccc(cc1)c1nnc2n1cnc1c2cnn1c1ccc(c(c1)Cl)Cl

STK585243
Synonyms: (E)-{1-[2-(diethylammonio)ethyl]-4,5-dioxo-2-phenylpyrrolidin-3-ylidene}(4-ethoxyphenyl)methanolate
Smiles: CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1)CC[NH+](CC)CC)/[O-]

STK585244
Synonyms: N-[(2E)-3-(2-fluorophenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-3-phenylpropanamide
Smiles: O=C(/N=C\1/SC2C(N1c1ccccc1F)CS(=O)(=O)C2)CCc1ccccc1

STK585245
Synonyms: ethyl2-{[(Z)-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)methyl]amino}-4-(2-methylpropyl)thiophene-3-carboxylate
Smiles: CCOC(=O)c1c(csc1N/C=C\1/C(=NC(=NC1=O)O)O)CC(C)C

STK585246
Synonyms: (5s,7s)-5-ethyl-7-methyl-2-(2-nitrophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Smiles: CC[C@]12CN3C[C@@](C2=O)(CN(C1)C3c1ccccc1[N+](=O)[O-])C

STK585248
Synonyms: N-(3,5-dichlorophenyl)-2-{[4-(4-ethoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2cc(Cl)cc(c2)Cl)nnc1COc1ccccc1

STK585249
Synonyms: N-(2,4-dichlorophenyl)-2-{[4-(4-ethoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2Cl)Cl)nnc1COc1ccccc1

STK585250
Synonyms: (5Z)-3-benzyl-5-[1-(cyclopropylamino)propylidene]-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: CC/C(=C/1\C(=NC(=O)N(C1=O)Cc1ccccc1)O)/NC1CC1

STK585252
Synonyms: N-[1-(3,4-dimethylphenyl)-2-hydroxy-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]benzamide
Smiles: OC1=NC(C(=O)N1c1ccc(c(c1)C)C)(NC(=O)c1ccccc1)C(F)(F)F

STK585254
Synonyms: 5-[(2-hydroxyethyl)amino]-3-(4-methoxyphenoxy)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Smiles: OCCNc1cc(Oc2ccc(cc2)OC)c2c3c1C(=O)c1ccccc1c3on2

STK585256
Synonyms: 2-[({4-ethyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-1H-benzimidazole
Smiles: CCn1c(SCc2nc3c([nH]2)cccc3)nnc1COc1ccc(cc1)C

STK585260
Synonyms: N-[(2E)-3-(4-fluorophenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-4-phenylbutanamide
Smiles: O=C(/N=C\1/SC2C(N1c1ccc(cc1)F)CS(=O)(=O)C2)CCCc1ccccc1

STK585262
Synonyms: 7-ethyl-8-[4-(4-fluorobenzyl)piperazin-1-yl]-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: CCn1c(nc2c1c(O)nc(=O)n2C)N1CCN(CC1)Cc1ccc(cc1)F

STK585265
Synonyms: N-(4-bromophenyl)-2-[(1,5-dicyano-4-hydroxy-3-azaspiro[5.5]undeca-1,3-dien-2-yl)sulfanyl]acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)Br)N=C(C(C21CCCCC2)C#N)O

STK585266
Synonyms: 3-[(4-bromobenzyl)sulfanyl]-4-(4-chlorophenyl)-5-(3-methylphenyl)-4H-1,2,4-triazole
Smiles: Clc1ccc(cc1)n1c(SCc2ccc(cc2)Br)nnc1c1cccc(c1)C

STK585267
Synonyms: (2'S,3S,3'S,10b'R)-3'-[(2,4-dimethoxyphenyl)carbonyl]-2'-(phenylcarbonyl)-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: COc1ccc(c(c1)OC)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccccc1)C(=O)Nc1c2cccc1)cccc3

STK585268
Synonyms: (4E)-1-{5-[(2,4-dichlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-[3-(3-methylbutoxy)phenyl]pyrrolidine-2,3-dione
Smiles: CC(CCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccc(cc2Cl)Cl)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)CC(O2)C)/O)C

STK585269
Synonyms: (2'S,3S,3'S,10b'R)-2'-[(3-propoxyphenyl)carbonyl]-3'-(thiophen-2-ylcarbonyl)-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: CCCOc1cccc(c1)C(=O)[C@@H]1[C@@H](C(=O)c2cccs2)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK585271
Synonyms: 1-(4-tert-butylphenyl)-7-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CCc1ccc2c(c1)c(=O)c1c(o2)C(=O)N(C1c1ccc(cc1)C(C)(C)C)c1noc(c1)C

STK585272
Synonyms: (3R)-N-[(2S)-1-(cyclopropylamino)-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: CC(C[C@@H](C(=O)NC1CC1)NC(=O)[C@H]1N2C(SC1(C)C)c1c(C2=O)cccc1)C

STK585273
Synonyms: 1-(3-bromophenyl)-2-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Brc1cccc(c1)C1N(C)C(=O)c2c1c(=O)c1c(o2)cccc1

STK585274
Synonyms: methyl4-{(3E)-3-[(4-ethoxyphenyl)(hydroxy)methylidene]-1-[2-(2-hydroxyethoxy)ethyl]-4,5-dioxopyrrolidin-2-yl}benzoate
Smiles: OCCOCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)OCC)/O)/C1c1ccc(cc1)C(=O)OC

STK585276
Synonyms: 3-{(Z)-[5-iminio-7-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}-4-oxo-4H-chromen-6-olate
Smiles: [O-]c1ccc2c(c1)c(=O)c(co2)/C=C/1\C(=O)N=c2n(C1=[NH2+])nc(s2)C(C)C

STK585278
Synonyms: 3-[6-oxo-6-(piperidin-1-yl)hexyl]-1,2,3-benzotriazin-4(3H)-one
Smiles: O=C(N1CCCCC1)CCCCCn1nnc2c(c1=O)cccc2

STK585279
Synonyms: [2-(bromomethyl)-1,2-dimethylcyclopentane-1,3-diyl]dimethanol
Smiles: OCC1CCC(C1(C)CBr)(C)CO

STK585280
Synonyms: 2-{[5-(4-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-sulfamoylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)S(=O)(=O)N)CSc1nnc(n1Cc1ccco1)c1ccc(cc1)Cl

STK585281
Synonyms: (3S)-N-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-(methylsulfanyl)-1-oxobutan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Smiles: CSCC[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)NC(=O)[C@H]1NCc2c(C1)cccc2

STK585282
Synonyms: 2-(4-chlorophenyl)-3-(4-methoxybenzyl)-4H-chromeno[2,3-d]pyrimidine-4,5(3H)-dione
Smiles: COc1ccc(cc1)Cn1c(nc2c(c1=O)c(=O)c1c(o2)cccc1)c1ccc(cc1)Cl

STK585283
Synonyms: 2-{[5-(2-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(c(c2)F)C)nnc1c1ccccc1Cl

STK585286
Synonyms: N-benzyl-2-({6-cyano-8,8-dimethyl-5-[(4-methylphenyl)amino]-7,10-dihydro-8H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridin-3-yl}sulfanyl)acetamide
Smiles: N#Cc1c(Nc2ccc(cc2)C)n2c(SCC(=O)NCc3ccccc3)nnc2c2c1CC(C)(C)OC2

STK585287
Synonyms: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-N-(2-methoxy-4-nitrophenyl)acetamide
Smiles: COc1cc(ccc1NC(=O)CN1CCc2c(C1)cc(c(c2)OC)OC)[N+](=O)[O-]

STK585289
Synonyms: (5E)-3-benzyl-5-(1-{[4-(diethylamino)phenyl]amino}ethylidene)-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: CCN(c1ccc(cc1)N/C(=C/1\C(=NC(=O)N(C1=O)Cc1ccccc1)O)/C)CC

STK585291
Synonyms: methylN-[(2,4-dimethylphenyl)carbamoyl]-D-phenylalaninate
Smiles: COC(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(cc1C)C

STK585294
Synonyms: 4-{[(E)-(2,4-dimethoxyphenyl)methylidene]amino}-5-(3-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cc(OC)ccc1/C=N/n1c(=S)[nH]nc1c1cccc(c1)C

STK585295
Synonyms: 4-(4-chlorophenyl)-3-(2-methoxyphenyl)-5-[(4-methylbenzyl)sulfanyl]-4H-1,2,4-triazole
Smiles: COc1ccccc1c1nnc(n1c1ccc(cc1)Cl)SCc1ccc(cc1)C

STK585297
Synonyms: 3-(3-methoxyphenyl)-4-(4-methoxyphenyl)-5-[(3-methylbenzyl)sulfanyl]-4H-1,2,4-triazole
Smiles: COc1ccc(cc1)n1c(SCc2cccc(c2)C)nnc1c1cccc(c1)OC

STK585299
Synonyms: N-(1,3-benzodioxol-5-yl)-2-{[4-(4-chlorophenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc2c(c1)OCO2)CSc1nnc(n1c1ccc(cc1)Cl)COc1ccccc1

STK585302
Synonyms: N-cyclohexyl-N~2~-{[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbonyl}-L-leucinamide
Smiles: COc1ccc(cc1)N1CC(CC1=O)C(=O)N[C@H](C(=O)NC1CCCCC1)CC(C)C

STK585303
Synonyms: 2-(6-oxo-3,4-dihydro-2H-[1,3]thiazino[3',2':1,2]pyrimido[5,4-b]indol-7(6H)-yl)-N-(3-phenylpropyl)acetamide
Smiles: O=C(Cn1c2ccccc2c2c1c(=O)n1CCCSc1n2)NCCCc1ccccc1

STK585304
Synonyms: (4Z)-4-[2-(3,4-dimethoxyphenyl)-4H-chromen-4-ylidene]-2-(4-methoxyphenyl)-1,3-oxazol-5(4H)-one
Smiles: COc1ccc(cc1)C1=N/C(=C\2/C=C(Oc3c2cccc3)c2ccc(c(c2)OC)OC)/C(=O)O1

STK585305
Synonyms: 2-(4-chlorophenyl)-7-(4-fluorophenyl)-5-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
Smiles: Fc1ccc(cc1)C1C=C(N=c2n1nc([nH]2)c1ccc(cc1)Cl)c1ccccc1

STK585307
Synonyms: 8-[(2Z)-2-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)hydrazinyl]-6-hydroxy-3-methyl-7-propyl-1,3,6,7-tetrahydro-2H-purin-2-one
Smiles: CCCn1c(N/N=C\2/C(=NC(=NC2=O)O)O)nc2c1C(O)NC(=O)N2C

STK585308
Synonyms: N-[5-hydroxy-2-(phenoxymethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-phenylacetamide
Smiles: O=C(Nc1cc(O)nc2n1nc(n2)COc1ccccc1)Cc1ccccc1

STK585309
Synonyms: 2-({5-[(4-chlorophenoxy)methyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-chlorophenyl)acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2cccc(c2)Cl)nnc1COc1ccc(cc1)Cl

STK585311
Synonyms: 5-(biphenyl-4-yl)-7-(4-ethylphenyl)-3,7-dihydrotetrazolo[1,5-a]pyrimidine
Smiles: CCc1ccc(cc1)C1C=C(N=c2n1nn[nH]2)c1ccc(cc1)c1ccccc1

STK585313
Synonyms: 2-hydroxy-1-(4-methylphenyl)-1',2',3',3a'-tetrahydro-4H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-4,6(1H)-dione
Smiles: Cc1ccc(cc1)N1C(=NC(=O)C2(C1=O)Cc1ccccc1N1C2CCC1)O

STK585314
Synonyms: N-[(3Z)-7-methyl-1-propyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]benzenesulfonamide
Smiles: CCCn1[nH]/c(=N\S(=O)(=O)c2ccccc2)/c2c1nc1cc(C)ccc1c2

STK585317
Synonyms: N'-[(E)-(1-butyl-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene)methyl]heptanehydrazide
Smiles: CCCCCCC(=O)NN/C=C/1\C(=O)N=C(N(C1=O)CCCC)S

STK585318
Synonyms: N-{(1Z)-1-[1-cyano-2-(cyclopentylamino)-2-oxoethylidene]-1H-isoindol-3-yl}-4-nitrobenzamide
Smiles: N#C/C(=C\1/N=C(c2c1cccc2)NC(=O)c1ccc(cc1)[N+](=O)[O-])/C(=O)NC1CCCC1

STK585320
Synonyms: 2-amino-5-[4-(butan-2-yl)phenyl]-6-hydroxy-3,5-dihydro-4H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-4-one
Smiles: CCC(c1ccc(cc1)C1C2=C(O)c3c(C2=Nc2c1c(=O)[nH]c(n2)N)cccc3)C

STK585322
Synonyms: ethyl4-[({[4-(4-methylphenyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)C)c1ccccn1

STK585323
Synonyms: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}pyrimidin-4-ol
Smiles: Oc1cc(CSc2nnc(s2)C)nc(n1)N1CCN(CC1)Cc1ccc2c(c1)OCO2

STK585324
Synonyms: (3a'S,6a'R)-5-chloro-5'-(3-chloro-4-fluorophenyl)-3'-(1H-indol-3-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: Clc1ccc2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)c1ccc(c(c1)Cl)F)Cc1c[nH]c3c1cccc3)C(=O)N2

STK585325
Synonyms: N-[4-(benzyloxy)phenyl]-2-{[4-(prop-2-en-1-yl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccc(cc2)OCc2ccccc2)nnc1Cc1cccs1

STK585327
Synonyms: 2-hydroxy-7-methoxy-3-{[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]amino}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: COc1ccc2c(c1)[nH]c1c2nc(n(c1=O)/N=C/c1cccn1C)O

STK585328
Synonyms: 3-[(3a'S,6a'R)-5'-(butan-2-yl)-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]propanamide
Smiles: CCC(N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CCC(=O)N)C(=O)Nc2c1cc(Cl)cc2)C

STK585329
Synonyms: (5E)-1-methyl-5-{[(2-methylpropyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: CC(CN/C=C/1\C(=O)N=C(N(C1=O)C)S)C

STK585331
Synonyms: (5E)-5-{1-[(2-fluorophenyl)amino]propylidene}-6-hydroxy-3-(4-methoxyphenyl)pyrimidine-2,4(3H,5H)-dione
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccc(cc1)OC)O)/Nc1ccccc1F

STK585332
Synonyms: N-(4-{[(3Z)-1-ethyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]sulfamoyl}phenyl)acetamide
Smiles: CCn1[nH]/c(=N\S(=O)(=O)c2ccc(cc2)NC(=O)C)/c2c1nc1ccccc1c2

STK585333
Synonyms: 9-(3-chlorophenyl)-6-(thiophen-2-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: Clc1cccc(c1)C1C2=C(O)CC(CC2=Nc2n1ncn2)c1cccs1

STK585334
Synonyms: 5-(3,4-dimethoxyphenyl)-4-{[(E)-(4-methylphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cc(ccc1OC)c1n[nH]c(=S)n1/N=C/c1ccc(cc1)C

STK585336
Synonyms: (2E)-3-(3-chloro-5-ethoxy-4-propoxyphenyl)-1-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2(1H)-yl)prop-2-en-1-one
Smiles: CCCOc1c(Cl)cc(cc1OCC)/C=C/C(=O)N1CCc2c(C1=C)cc(c(c2)OC)OC

STK585337
Synonyms: 9-(2-chloro-5-nitrophenyl)-2-(ethylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: CCSc1nn2c(n1)N=C1C(=C(O)CCC1)C2c1cc(ccc1Cl)[N+](=O)[O-]

STK585338
Synonyms: 2-[(2-methoxyphenoxy)methyl]-10-methyl-8-phenyl-11-(pyridin-3-yl)-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: COc1ccccc1OCc1nn2c(n1)c1c(nc2)Oc2c(C1c1cccnc1)c(C)nn2c1ccccc1

STK585339
Synonyms: (5Z)-6-hydroxy-5-{[5-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)furan-2-yl]methylidene}-2-sulfanylpyrimidin-4(5H)-one
Smiles: SC1=NC(=O)/C(=C\c2ccc(o2)c2ccc3c(c2)COC3=O)/C(=N1)O

STK585343
Synonyms: N-(3-methoxypropyl)-2,2-dimethyl-5-(2-methylpropyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-8-amine
Smiles: COCCCNc1ncnc2c1oc1c2c2CC(C)(C)OCc2c(n1)CC(C)C

STK585344
Synonyms: 3-[(3,4-dichlorobenzyl)sulfanyl]-5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole
Smiles: COc1ccc(cc1)c1nnc(n1c1ccccc1)SCc1ccc(c(c1)Cl)Cl

STK585348
Synonyms: 2-({4-amino-5-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-cyclohexylacetamide
Smiles: COc1ccc(cc1)c1[nH]nc(c1)c1nnc(n1N)SCC(=O)NC1CCCCC1

STK585349
Synonyms: N-[2-(3,4-dimethylphenyl)-6-methyl-5-oxo-4-phenyl-2,5-dihydropyridazin-3-yl]-4-nitrobenzamide
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])Nc1n(nc(c(=O)c1c1ccccc1)C)c1ccc(c(c1)C)C

STK585350
Synonyms: 1-(2-bromophenyl)-2-{[4-(4-methylphenyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Smiles: Cc1ccc(cc1)n1c(SCC(=O)c2ccccc2Br)nnc1c1cnccn1

STK585351
Synonyms: 1'-(4-chlorophenyl)-2'-hydroxy-3-phenyl-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-4',6'(1'H)-dione
Smiles: Clc1ccc(cc1)N1C(=NC(=O)C2(C1=O)Cc1ccccc1N1C2CN(CC1)c1ccccc1)O

STK585352
Synonyms: (3a'S,6a'R)-5'-cycloheptyl-7-ethyl-3'-(1-hydroxyethyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: CCc1cccc2c1NC(=O)C12NC([C@@H]2[C@H]1C(=O)N(C2=O)C1CCCCCC1)C(O)C

STK585353
Synonyms: (3a'S,6a'R)-5-fluoro-5'-(4-fluorophenyl)-3'-(1H-indol-3-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: Fc1ccc2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)c1ccc(cc1)F)Cc1c[nH]c3c1cccc3)C(=O)N2

STK585356
Synonyms: 6-chloro-1-hydroxy-9-oxo-9H-xanthen-3-ylN-[(benzyloxy)carbonyl]glycinate
Smiles: O=C(Oc1cc(O)c2c(c1)oc1c(c2=O)ccc(c1)Cl)CNC(=O)OCc1ccccc1

STK585357
Synonyms: methylN-(heptan-2-ylcarbamoyl)-L-methioninate
Smiles: CCCCCC(NC(=O)N[C@H](C(=O)OC)CCSC)C

STK585359
Synonyms: 8-cyclohexyl-3-[(4-fluorophenyl)sulfonyl]-2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazole
Smiles: Fc1ccc(cc1)S(=O)(=O)N1CCn2c3C1CCCc3c1c2ccc(c1)C1CCCCC1

STK585360
Synonyms: 8-[(E)-(1-hexyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-1',3,3'-trimethyl-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione
Smiles: CCCCCCN1C(=O)NC(=O)/C(=C\c2ccc3c(c2)CC2(C4N3CCN(C4)C)C(=O)N(C)C(=O)N(C2=O)C)/C1=O

STK585361
Synonyms: 3-(1H-benzimidazol-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
Smiles: O=C(Nc1ccc2c(c1)OCCO2)CCn1cnc2c1cccc2

STK585363
Synonyms: (2-{[(2'S,3S,3'S,10b'R)-2-oxo-2'-(thiophen-2-ylcarbonyl)-1,2,2',3'-tetrahydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-3'-yl]carbonyl}phenoxy)acetonitrile
Smiles: N#CCOc1ccccc1C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1cccs1)C(=O)Nc1c2cccc1)cccc3

STK585365
Synonyms: N-(4-methylphenyl)-4-phenyl-1-[4-(propan-2-yl)phenyl]-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: Cc1ccc(cc1)NC(=O)c1c(c2ccc(cc2)C(C)C)c2c3n1cc(n3CCCC2)c1ccccc1

STK585367
Synonyms: 9-(4-fluorophenyl)-1-methyl-3-(4-methylbenzyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: Cc1ccc(cc1)Cn1c(=O)c2n3CCCN(c3nc2n(c1=O)C)c1ccc(cc1)F

STK585368
Synonyms: N-[(2E)-5,5-dioxido-3-(prop-2-en-1-yl)tetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-(4-methoxyphenyl)acetamide
Smiles: C=CCN1/C(=N\C(=O)Cc2ccc(cc2)OC)/SC2C1CS(=O)(=O)C2

STK585369
Synonyms: N-(7-methoxy-2,3-dihydro-1H-pyrrolo[2,3-b]quinolin-1-yl)furan-2-carboxamide
Smiles: COc1ccc2c(c1)nc1c(c2)CCN1NC(=O)c1ccco1

STK585370
Synonyms: N-(2,5-dichlorophenyl)-2-{[4-(4-methylphenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cc(Cl)ccc1Cl)CSc1nnc(n1c1ccc(cc1)C)Cc1cccs1

STK585371
Synonyms: N-(3-chlorophenyl)-2-(4-oxoquinazolin-3(4H)-yl)butanamide
Smiles: CCC(n1cnc2c(c1=O)cccc2)C(=O)Nc1cccc(c1)Cl

STK585373
Synonyms: (5E)-5-{1-[(1,3-benzodioxol-5-ylmethyl)amino]propylidene}-6-hydroxy-3-(4-methylphenyl)pyrimidine-2,4(3H,5H)-dione
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccc(cc1)C)O)/NCc1ccc2c(c1)OCO2

STK585374
Synonyms: 2-({4-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,6-dimethylphenyl)acetamide
Smiles: O=C(Nc1c(C)cccc1C)CSc1nnc(n1c1ccc(cc1)Cl)COc1ccc(cc1)C

STK585375
Synonyms: 4-[(2E)-2-{[1-(4-fluorobenzyl)-1H-indol-3-yl]methylidene}hydrazinyl]-5-phenylthieno[2,3-d]pyrimidine
Smiles: Fc1ccc(cc1)Cn1cc(c2c1cccc2)/C=N/Nc1ncnc2c1c(cs2)c1ccccc1

STK585377
Synonyms: 8-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-7-ethyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCn1c(CN2CCN(CC2)c2cc(Cl)ccc2C)nc2c1c(=O)n(c(=O)n2C)C

STK585378
Synonyms: 3-{(2E)-2-[(5-methoxy-1H-indol-3-yl)methylidene]hydrazinyl}-5H-[1,2,4]triazino[5,6-b]indole
Smiles: COc1ccc2c(c1)c(/C=N/Nc1nnc3c(n1)[nH]c1c3cccc1)c[nH]2

STK585379
Synonyms: 3-(2-chloro-6-fluorobenzyl)-8-(3-methoxypropyl)-1,7-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: COCCCn1c(C)cn2c1nc1c2c(=O)n(c(=O)n1C)Cc1c(F)cccc1Cl

STK585380
Synonyms: methylN-(propylcarbamoyl)-L-methioninate
Smiles: CCCNC(=O)N[C@H](C(=O)OC)CCSC

STK585381
Synonyms: 2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)-7-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Fc1ccc(cc1)C1N(c2sc3c(n2)c(C)cc(c3)C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)C

STK585383
Synonyms: 4-({(E)-[4-(diethylamino)-2-hydroxyphenyl]methylidene}amino)-5-(4-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCN(c1ccc(c(c1)O)/C=N/n1c(=S)[nH]nc1c1ccc(cc1)OC)CC

STK585384
Synonyms: N-(3-chloro-4-methoxyphenyl)-2-{[4-(4-methylphenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1Cl)NC(=O)CSc1nnc(n1c1ccc(cc1)C)Cc1cccs1

STK585385
Synonyms: (3S)-N-{(2S)-1-oxo-1-[(1-phenylethyl)amino]propan-2-yl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Smiles: O=C([C@@H](NC(=O)[C@H]1NCc2c(C1)cccc2)C)NC(c1ccccc1)C

STK585386
Synonyms: N-(2,3-dimethylphenyl)-2-({4-(4-methoxyphenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2cccc(c2C)C)nnc1COc1ccc(cc1)C

STK585388
Synonyms: 10-(2,4-dihydroxyphenyl)-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: Oc1ccc(c(c1)O)C1OCCn2c1c1n(C)c(=O)n(c(=O)c1c2c1ccccc1)C

STK585389
Synonyms: 12-(3,4-dimethoxyphenyl)-2-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-ol
Smiles: COc1ccc(cc1OC)C1c2ccc(cc2Oc2c1c1nc(nn1cn2)COc1cc(C)ccc1C(C)C)O

STK585391
Synonyms: N-[(1Z)-1-{1-cyano-2-[(2-methoxyethyl)amino]-2-oxoethylidene}-1H-isoindol-3-yl]furan-2-carboxamide
Smiles: COCCNC(=O)/C(=C/1\N=C(c2c1cccc2)NC(=O)c1ccco1)/C#N

STK585394
Synonyms: (3a'R,8b'S)-2'-(2-phenylethyl)-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(1H,2'H)-trione
Smiles: O=C1N(CCc2ccccc2)C(=O)[C@@H]2[C@H]1C1CCCN1C12C(=O)Nc2c1cccc2

STK585395
Synonyms: 5-{4-[(2-chlorobenzyl)oxy]phenyl}-N'-[(1E)-1-phenylethylidene]-1H-pyrazole-3-carbohydrazide
Smiles: O=C(c1n[nH]c(c1)c1ccc(cc1)OCc1ccccc1Cl)N/N=C(/c1ccccc1)\C

STK585396
Synonyms: N-(3-methoxypropyl)-2,2,5-trimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-8-amine
Smiles: COCCCNc1ncnc2c1oc1c2c2CC(C)(C)OCc2c(n1)C

STK585397
Synonyms: 5-(2-chlorophenyl)-4-{[(E)-(5-methylthiophen-2-yl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Cc1ccc(s1)/C=N/n1c(=S)[nH]nc1c1ccccc1Cl

STK585399
Synonyms: 8-(3-chlorophenyl)-9-[(2-hydroxyethyl)amino]-4-(2-methylpropyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one
Smiles: OCCNc1nc2c3c(sc2c(=O)n1c1cccc(c1)Cl)nc(c1c3CCC1)CC(C)C

STK585402
Synonyms: 5,7-dichloro-2-(5-methyl-1,2-oxazol-3-yl)-1-(3,4,5-trimethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1c(OC)cc(cc1OC)C1N(c2noc(c2)C)C(=O)c2c1c(=O)c1c(o2)c(Cl)cc(c1)Cl

STK585403
Synonyms: N-[2-(3,4-dimethylphenyl)-6-methyl-4-(4-methylphenyl)-5-oxo-2,5-dihydropyridazin-3-yl]butanamide
Smiles: CCCC(=O)Nc1n(nc(c(=O)c1c1ccc(cc1)C)C)c1ccc(c(c1)C)C

STK585404
Synonyms: 2-{[7,7-dimethyl-2-(3-methylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
Smiles: CCOc1ccc(cc1)NC(=O)CSc1nc(nc2c1COC(C2)(C)C)c1cccc(c1)C

STK585405
Synonyms: N'-[(Z)-{1-[2-(cyclohex-1-en-1-yl)ethyl]-2-hydroxy-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene}methyl]pyridine-4-carbohydrazide
Smiles: O=C(c1ccncc1)NN/C=C\1/C(=O)N=C(N(C1=O)CCC1=CCCCC1)O

STK585406
Synonyms: 3-(4-chlorophenyl)-5-(2-ethyl-2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl)-2,6-dihydroxypyrimidin-4(3H)-one
Smiles: CCN1CCc2c(C1c1c(O)nc(n(c1=O)c1ccc(cc1)Cl)O)[nH]c1c2cccc1

STK585408
Synonyms: 6-hydroxy-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-8-[(2Z)-2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinyl]-3,7-dihydro-2H-purin-2-one
Smiles: Cc1cccc(c1)OCC(Cn1c(N/N=C/2\C(=O)Nc3c2cccc3)nc2c1c(O)nc(=O)n2C)O

STK585411
Synonyms: N-(3-chlorophenyl)-2-{[3-cyano-5-hydroxy-4-(4-methoxyphenyl)-7,7-dimethyl-4,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}acetamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc(c2)Cl)N=C2C(=C(O)CC(C2)(C)C)C1c1ccc(cc1)OC

STK585412
Synonyms: 2-[(3a'S,6a'R)-5-fluoro-5'-(2-methoxyethyl)-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]acetamide
Smiles: COCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CC(=O)N)C(=O)Nc2c1cc(F)cc2

STK585413
Synonyms: 3-methylbutyl[4-(dimethylamino)phenyl]{(phenylamino)[4-(propan-2-yl)phenyl]methyl}phosphinate
Smiles: CC(CCOP(=O)(C(c1ccc(cc1)C(C)C)Nc1ccccc1)c1ccc(cc1)N(C)C)C

STK585415
Synonyms: 4-chloro-N-[2-(2-methoxyethyl)-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-8-yl]benzenesulfonamide
Smiles: COCCN1CCn2c(C1)nc1c2ccc(c1)NS(=O)(=O)c1ccc(cc1)Cl

STK585416
Synonyms: N-(2,4-difluorophenyl)-2-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)acetamide
Smiles: COc1cc2c(cc1OC)CCN(C2C)CC(=O)Nc1ccc(cc1F)F

STK585417
Synonyms: 2-{[4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Smiles: COc1cccc(c1)c1nnc(n1Cc1ccco1)SCC(=O)Nc1cccc(c1)C(F)(F)F

STK585418
Synonyms: 1-(4-methoxybenzyl)-3-(1-methyl-1H-benzimidazol-2-yl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine
Smiles: COc1ccc(cc1)Cn1c(N)c(c2c1nc1ccccc1n2)c1nc2c(n1C)cccc2

STK585419
Synonyms: 7-methyl-10-(prop-2-en-1-yl)-1,2,3,4,10,11-hexahydro-5H,9H-benzo[3,4]chromeno[6,7-e][1,3]oxazin-5-one
Smiles: C=CCN1COc2c(C1)cc1c(c2C)oc(=O)c2c1CCCC2

STK585421
Synonyms: 1-(2-chlorophenyl)-6-(furan-2-ylmethyl)-2-sulfanyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: Sc1nc(=O)c2c(n1c1ccccc1Cl)NCN(C2)Cc1ccco1

STK585422
Synonyms: 2-(4-bromophenyl)-4-imino-6,7,11,12-tetrahydro-4H,10H-[1,4]dioxepino[2,3-g]pyrido[2,1-a]isoquinoline-3-carbonitrile
Smiles: N#Cc1c(cc2n(c1=N)CCc1c2cc2OCCCOc2c1)c1ccc(cc1)Br

STK585423
Synonyms: N-(2-tert-butylphenyl)-2-{[4-ethyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1Cc1cccs1

STK585425
Synonyms: N-(4-bromo-2-methylphenyl)-2-{[4-(4-chlorophenyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1C)Br)CSc1nnc(n1c1ccc(cc1)Cl)c1cccc(c1)C

STK585426
Synonyms: 1,3-dimethyl-7-(2-methylpropyl)-8-(piperidin-1-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(Cn1c(CN2CCCCC2)nc2c1c(=O)n(c(=O)n2C)C)C

STK585428
Synonyms: (3a'S,6a'R)-5'-(butan-2-yl)-7-chloro-3'-(2-methylpropyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: CCC(N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CC(C)C)C(=O)Nc2c1cccc2Cl)C

STK585429
Synonyms: (3a'S,6a'R)-7-chloro-3'-(1-hydroxyethyl)-5'-(2-methoxyethyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: COCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2C(O)C)C(=O)Nc2c1cccc2Cl

STK585430
Synonyms: (2E)-3-(3-chlorophenyl)-1-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)prop-2-en-1-one
Smiles: COc1cc2c(cc1OC)CCN(C2C)C(=O)/C=C/c1cccc(c1)Cl

STK585431
Synonyms: 8-[(4-benzylpiperazin-1-yl)methyl]-1,3-dimethyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(CCn1c(CN2CCN(CC2)Cc2ccccc2)nc2c1c(=O)n(c(=O)n2C)C)C

STK585432
Synonyms: 4-amino-N-[2-hydroxy-4,6-dioxo-1-phenyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]benzenesulfonamide
Smiles: Nc1ccc(cc1)S(=O)(=O)NC1(C(=O)Nc2c1c(=O)nc(n2c1ccccc1)O)C(F)(F)F

STK585433
Synonyms: {[3-(benzyloxy)phenyl](5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl}propanedinitrile
Smiles: N#CC(C(c1c(O)[nH]nc1C)c1cccc(c1)OCc1ccccc1)C#N

STK585434
Synonyms: (3aS,4R,4aS,7aR,8R,8aS)-6-(4-chlorophenyl)-3-(4-methylphenyl)-4a,7a,8,8a-tetrahydro-3aH-4,8-epoxy[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione
Smiles: Cc1ccc(cc1)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)Cl

STK585435
Synonyms: 2-(furan-2-yl)-5,10-dimethyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: CC1CCc2c(C1)c1c(s2)nc(n2c1nc(n2)c1ccco1)C

STK585436
Synonyms: 2-{[4-ethyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
Smiles: CCn1c(SCC(=O)Nc2ccc(cc2)c2sc3c(n2)ccc(c3)C)nnc1c1cccc(c1)C

STK585437
Synonyms: (2E)-N-[(2E)-6-(methylsulfonyl)-1,3-benzothiazol-2(3H)-ylidene]-3-(4-propoxyphenyl)prop-2-enamide
Smiles: CCCOc1ccc(cc1)/C=C/C(=O)/N=c\1/sc2c([nH]1)ccc(c2)S(=O)(=O)C

STK585438
Synonyms: 2-[(4-amino-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-1-(4-nitrophenyl)ethanone
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])CSc1nc(N)c2c(n1)sc1c2CC(OC1)(C)C

STK585439
Synonyms: (6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2(1H)-yl)[1-(4-fluorophenyl)cyclopentyl]methanone
Smiles: COc1cc2c(cc1OC)CCN(C2=C)C(=O)C1(CCCC1)c1ccc(cc1)F

STK585441
Synonyms: N-{[(2Z)-6-butyl-1,3-benzothiazol-2(3H)-ylidene]carbamothioyl}naphthalene-1-carboxamide
Smiles: CCCCc1ccc2c(c1)s/c(=N\C(=S)NC(=O)c1cccc3c1cccc3)/[nH]2

STK585442
Synonyms: 3-benzyl-8-methoxy-2-propyl-4H-chromeno[2,3-d]pyrimidine-4,5(3H)-dione
Smiles: CCCc1nc2oc3cc(OC)ccc3c(=O)c2c(=O)n1Cc1ccccc1

STK585443
Synonyms: N-(4-chlorophenyl)-4-(4-methylphenyl)-1-[4-(propan-2-yl)phenyl]-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: Cc1ccc(cc1)c1cn2c3n1CCCCc3c(c2C(=O)Nc1ccc(cc1)Cl)c1ccc(cc1)C(C)C

STK585444
Synonyms: 3-chloro-4-[(4-methylphenyl)amino]-1-(naphthalen-1-yl)-1H-pyrrole-2,5-dione
Smiles: Cc1ccc(cc1)NC1=C(Cl)C(=O)N(C1=O)c1cccc2c1cccc2

STK585445
Synonyms: 3-chloro-N-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(2-methylpropyl)benzamide
Smiles: CC(CN(C(=O)c1cccc(c1)Cl)Cc1cc2cc(C)ccc2[nH]c1=O)C

STK585446
Synonyms: N-[2-hydroxy-1-(4-methoxybenzyl)-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]furan-2-carboxamide
Smiles: COc1ccc(cc1)CN1C(=NC(C1=O)(NC(=O)c1ccco1)C(F)(F)F)O

STK585448
Synonyms: N-(3-chlorophenyl)-2-{[4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1)Cl)CSc1nnc(n1Cc1ccco1)Cc1cccs1

STK585449
Synonyms: 4-{[(1E,2Z)-2-chloro-3-phenylprop-2-en-1-ylidene]amino}-5-(4-fluorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Cl/C(=C\c1ccccc1)/C=N/n1c(=S)[nH]nc1c1ccc(cc1)F

STK585450
Synonyms: 4-{[(E)-(2,6-dichlorophenyl)methylidene]amino}-5-(4-ethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCOc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1c(Cl)cccc1Cl

STK585451
Synonyms: (1'S,3R,3'S,7a'S)-1'-[(3,4-dimethoxyphenyl)carbonyl]-5''-fluoro-5',6',7',7a'-tetrahydro-1'H-dispiro[indole-3,2'-pyrrolizine-3',3''-indole]-2,2''(1H,1''H)-dione
Smiles: COc1cc(ccc1OC)C(=O)[C@@H]1[C@@H]2CCCN2[C@@]2([C@]31C(=O)Nc1c3cccc1)C(=O)Nc1c2cc(F)cc1

STK585453
Synonyms: (4E)-5-(3-chlorophenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-{5-[(naphthalen-1-ylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-2,3-dione
Smiles: Clc1cccc(c1)C1N(c2nnc(s2)SCc2cccc3c2cccc3)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

STK585455
Synonyms: (1E)-N-{[11-(furan-2-yl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methoxy}-1-(4-methoxyphenyl)ethanimine
Smiles: COc1ccc(cc1)/C(=N/OCc1nn2c(n1)c1c(nc2)Oc2c(C1c1ccco1)c(C)nn2c1ccccc1)/C

STK585458
Synonyms: 3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-4(3H)-one
Smiles: O=C(N1CCN(CC1)c1ccccc1)CCn1cnc2c(c1=O)cccc2

STK585459
Synonyms: 1-amino-N-(3-methoxyphenyl)-8,8-dimethyl-5-(pyrrolidin-1-yl)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxamide
Smiles: COc1cccc(c1)NC(=O)c1sc2c(c1N)c1CC(C)(C)OCc1c(n2)N1CCCC1

STK585460
Synonyms: 4-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]-N-(4-ethoxyphenyl)benzamide
Smiles: CCOc1ccc(cc1)NC(=O)c1ccc(cc1)N1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1

STK585461
Synonyms: 8-(2-methoxyethyl)-1,6,7-trimethyl-3-(3-phenylpropyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: COCCn1c2nc3c(n2c(c1C)C)c(=O)n(c(=O)n3C)CCCc1ccccc1

STK585462
Synonyms: 6-methoxy-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
Smiles: COc1ccc2c(c1)[nH]c(c2)C(=O)NCc1cccnc1

STK585464
Synonyms: (2E)-2-(2,3-dihydro-1H-indol-1-ylcarbonyl)-3-(1H-pyrrol-2-yl)prop-2-enenitrile
Smiles: N#C/C(=C\c1[nH]ccc1)/C(=O)N1CCc2c1cccc2

STK585465
Synonyms: 8-(3-chloro-2-methylphenyl)-3-(2-methoxyethyl)-1-methyl-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
Smiles: COCCn1c(=O)n(C)c2c(c1=O)n1CCN(c1n2)c1cccc(c1C)Cl

STK585466
Synonyms: N-[4-(benzyloxy)phenyl]-2-{[4-(4-methoxyphenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)OCc2ccccc2)nnc1Cc1cccs1

STK585468
Synonyms: 2-{[6-cyano-8,8-dimethyl-5-(phenylamino)-7,10-dihydro-8H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl}-N-(3,4-dichlorophenyl)acetamide
Smiles: N#Cc1c(Nc2ccccc2)n2c(SCC(=O)Nc3ccc(c(c3)Cl)Cl)nnc2c2c1CC(C)(C)OC2

STK585470
Synonyms: 3-amino-N-[(2E)-5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2(3H)-ylidene]-6-(pyridin-4-yl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: Clc1ccc(cc1)CSc1n[nH]/c(=N\C(=O)c2sc3c(c2N)ccc(n3)c2ccncc2)/s1

STK585473
Synonyms: 2-(10-fluoro-6-oxo-3,4-dihydro-2H-[1,3]thiazino[3',2':1,2]pyrimido[5,4-b]indol-7(6H)-yl)-N-(propan-2-yl)acetamide
Smiles: CC(NC(=O)Cn1c2ccc(cc2c2c1c(=O)n1CCCSc1n2)F)C

STK585475
Synonyms: 2-({4-amino-5-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3,4-difluorophenyl)acetamide
Smiles: COc1ccc(cc1)c1[nH]nc(c1)c1nnc(n1N)SCC(=O)Nc1ccc(c(c1)F)F

STK585478
Synonyms: 11-(4-methoxyphenyl)-3-phenyl-10-propyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol
Smiles: CCCN1C(c2ccc(cc2)OC)C2=C(O)CC(CC2=Nc2c1cccc2)c1ccccc1

STK585480
Synonyms: 8-(3-chlorophenyl)-2,11-bis(2-methoxyphenyl)-10-methyl-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: COc1ccccc1C1c2c(C)nn(c2Oc2c1c1nc(nn1cn2)c1ccccc1OC)c1cccc(c1)Cl

STK585483
Synonyms: 1-methyl-3-(4-methylbenzyl)-8-(2-methylphenyl)-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
Smiles: Cc1ccc(cc1)Cn1c(=O)n(C)c2c(c1=O)n1CCN(c1n2)c1ccccc1C

STK585485
Synonyms: 2-(6-fluoro-1,3-benzothiazol-2-yl)-1-(3-propoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CCCOc1cccc(c1)C1N(c2sc3c(n2)ccc(c3)F)C(=O)c2c1c(=O)c1c(o2)cccc1

STK585486
Synonyms: (E)-{1-butyl-1'-[2-(dimethylammonio)ethyl]-2,4',5'-trioxo-1,2-dihydro-3'H-spiro[indole-3,2'-pyrrolidin]-3'-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Smiles: CCCCN1c2ccccc2C2(C1=O)/C(=C(/c1ccc3c(c1)OCCO3)\[O-])/C(=O)C(=O)N2CC[NH+](C)C

STK585487
Synonyms: (8S,8aR,11aS)-10-(3-chlorophenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide
Smiles: Clc1cccc(c1)N1C(=O)[C@@H]2[C@H](C1=O)C1N([C@@H]2C(=O)N)C=Cc2c1cccc2

STK585489
Synonyms: N-(4-bromo-2-methylphenyl)-2-({5-[(4-chlorophenoxy)methyl]-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Smiles: O=C(Nc1ccc(cc1C)Br)CSc1nnc(n1Cc1ccco1)COc1ccc(cc1)Cl

STK585490
Synonyms: 1-[(7-hexyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl]piperidine-4-carboxamide
Smiles: CCCCCCn1c(CN2CCC(CC2)C(=O)N)nc2c1c(=O)n(c(=O)n2C)C

STK585492
Synonyms: (3S,3a'R,8a'S,8b'S)-5-chloro-7-methyl-2'-(3-methylphenyl)-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(1H,2'H)-trione
Smiles: Cc1cccc(c1)N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(N3[C@H]2CCC3)C(=O)Nc2c1cc(Cl)cc2C

STK585493
Synonyms: 2-[(8-methyl-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5-yl)amino]ethanol
Smiles: OCCNc1nc2nnnn2c2c1c1CCN(Cc1s2)C

STK585498
Synonyms: 9-(4-butylphenyl)-3-(2-ethoxyethyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: CCCCc1ccc(cc1)N1CCCn2c1nc1c2c(=O)n(c(=O)n1C)CCOCC

STK585499
Synonyms: 5-(pyridin-2-yl)-4-{[(E)-(2,3,4-trimethoxyphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1c(ccc(c1OC)OC)/C=N/n1c(=S)[nH]nc1c1ccccn1

STK585501
Synonyms: (5E)-5-{1-[(3-fluorophenyl)amino]ethylidene}-6-hydroxy-3-(2-methylphenyl)pyrimidine-2,4(3H,5H)-dione
Smiles: Fc1cccc(c1)N/C(=C/1\C(=NC(=O)N(C1=O)c1ccccc1C)O)/C

STK585502
Synonyms: (3aR,4R,4aR,7aS,8R,8aR)-3-[4-(benzyloxy)-3-methoxyphenyl]-6-[2-(dimethylamino)ethyl]-4a,7a,8,8a-tetrahydro-3aH-4,8-methano[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione
Smiles: COc1cc(ccc1OCc1ccccc1)C1=NO[C@H]2[C@@H]1[C@@H]1C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)CCN(C)C

STK585503
Synonyms: 1-(4-chlorophenyl)-5-methyl[1,2,4]triazolo[4,3-a]quinoline
Smiles: Clc1ccc(cc1)c1nnc2n1c1ccccc1c(c2)C

STK585504
Synonyms: (4E)-5-(3,4-diethoxyphenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-{5-[(2-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-2,3-dione
Smiles: CCOc1cc(ccc1OCC)C1N(c2nnc(s2)SCc2ccccc2F)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

STK585506
Synonyms: N-(3,4-difluorophenyl)-2-{[4-(4-methylphenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(c(c1)F)F)CSc1nnc(n1c1ccc(cc1)C)Cc1cccs1

STK585509
Synonyms: 2-{[5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(diethylamino)phenyl]acetamide
Smiles: CCN(c1ccc(cc1)NC(=O)CSc1nnc(n1Cc1ccco1)c1cccc(c1)Cl)CC

STK585510
Synonyms: 3-(2-bromophenoxy)-8-[(diethylammonio)methyl]-2-methyl-4-oxo-4H-chromen-7-olate
Smiles: CC[NH+](Cc1c([O-])ccc2c1oc(C)c(c2=O)Oc1ccccc1Br)CC

STK585511
Synonyms: (2Z)-N-(4-chloro-2-methylphenyl)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-7(8H)-ylidene)ethanamide
Smiles: O=C(Nc1ccc(cc1C)Cl)/C=C/1\NCCc2c1cc1OCCCOc1c2

STK585513
Synonyms: 2-ethoxyethyl(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3(4H)-yl)acetate
Smiles: CCOCCOC(=O)Cn1cnc2c(c1=O)cc(s2)c1ccccc1

STK585514
Synonyms: 3-benzyl-8-(3-chloro-2-methylphenyl)-1-methyl-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
Smiles: Cc1c(Cl)cccc1N1CCn2c1nc1c2c(=O)n(c(=O)n1C)Cc1ccccc1

STK585515
Synonyms: 1-(2,4-dichlorobenzyl)-8-hydrazinyl-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: NNc1nc2c(n1C)c(=O)n(c(=O)n2C)Cc1ccc(cc1Cl)Cl

STK585516
Synonyms: 4-hydroxy-6-(methoxymethyl)-2-phenyl-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one
Smiles: COCc1cc(O)c2c(n1)[nH]n(c2=O)c1ccccc1

STK585517
Synonyms: (4-bromo-3-nitrophenyl)(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2(1H)-yl)methanone
Smiles: COc1cc2CCN(C(=C)c2cc1OC)C(=O)c1ccc(c(c1)[N+](=O)[O-])Br

STK585521
Synonyms: 3-(3,4-dichlorophenyl)-7-methyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: Clc1ccc(cc1Cl)c1nnc2n1cnc1c2cnn1C

STK585523
Synonyms: 1-(3-fluorophenyl)-4-(4-hydroxyphenyl)-4,7-dihydrofuro[3,4-b]pyridine-2,5(1H,3H)-dione
Smiles: Oc1ccc(cc1)C1CC(=O)N(C2=C1C(=O)OC2)c1cccc(c1)F

STK585524
Synonyms: 2-{(5Z)-5-[4-(octyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}pentanoicacid
Smiles: CCCCCCCCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)C(C(=O)O)CCC

STK585525
Synonyms: N-(4-bromo-3-methylphenyl)-2-{[4-(4-methylphenyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(c(c1)C)Br)CSc1nnc(n1c1ccc(cc1)C)c1nccnc1

STK585526
Synonyms: 6,6-dimethyl-9-(2-methylphenyl)-2-(methylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: CSc1nn2c(n1)N=C1C(=C(O)CC(C1)(C)C)C2c1ccccc1C

STK585528
Synonyms: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl](5-fluoro-1H-indol-2-yl)methanone
Smiles: Fc1ccc2c(c1)cc([nH]2)C(=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2

STK585529
Synonyms: N-[(3Z)-1-ethyl-7-methyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]-2,1,3-benzoxadiazole-4-sulfonamide
Smiles: CCn1[nH]/c(=N\S(=O)(=O)c2cccc3c2non3)/c2c1nc1cc(C)ccc1c2

STK585530
Synonyms: (5E)-1-(2,3-dichlorophenyl)-5-({1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-indol-3-yl}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: O=C(N1CCCC1)Cn1cc(c2c1cccc2)/C=C/1\C(=O)N=C(N(C1=O)c1cccc(c1Cl)Cl)S

STK585531
Synonyms: (2'S,3R,7a'S)-7-chloro-N-(2,5-dimethoxyphenyl)-5-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(C)cc1Cl)CCC2)OC

STK585533
Synonyms: 3-{4-[(4-chloronaphthalen-1-yl)oxy]butyl}-2-(4-methoxyphenyl)quinazolin-4(3H)-one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCOc1ccc(c2c1cccc2)Cl

STK585534
Synonyms: 2-{[5-(2-fluorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccccc2OC)nnc1c1ccccc1F

STK585535
Synonyms: (1S,2S)-N'-{(E)-[5-(4-nitrophenyl)furan-2-yl]methylidene}-2-phenylcyclopropanecarbohydrazide
Smiles: O=C([C@H]1C[C@@H]1c1ccccc1)N/N=C/c1ccc(o1)c1ccc(cc1)[N+](=O)[O-]

STK585536
Synonyms: 5-fluoro-N-[4-(furan-2-yl)butan-2-yl]-N-methyl-1H-indole-2-carboxamide
Smiles: Fc1ccc2c(c1)cc([nH]2)C(=O)N(C(CCc1ccco1)C)C

STK585538
Synonyms: 7-(4-ethylpiperazin-1-yl)-4-(2-methylpropyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidine
Smiles: CCN1CCN(CC1)c1ncnc2c1oc1c2c2CCCc2c(n1)CC(C)C

STK585539
Synonyms: 2-({5-[(4-chlorophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-ethyl-6-methylphenyl)acetamide
Smiles: C=CCn1c(SCC(=O)Nc2c(C)cccc2CC)nnc1COc1ccc(cc1)Cl

STK585540
Synonyms: N-{1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-hydroxy-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl}benzamide
Smiles: Fc1ccc2c(c1)c(CCN1C(=NC(C1=O)(NC(=O)c1ccccc1)C(F)(F)F)O)c[nH]2

STK585542
Synonyms: 3-amino-N-[(2E)-5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2(3H)-ylidene]-6-(thiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: Clc1ccc(cc1)CSc1n[nH]/c(=N\C(=O)c2sc3c(c2N)ccc(n3)c2cccs2)/s1

STK585544
Synonyms: (2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide
Smiles: CC([C@H](n1nnc2c(c1=O)cccc2)C(=O)Nc1ccc2c(c1)OCCO2)C

STK585547
Synonyms: 4-{[(E)-(4-bromophenyl)methylidene]amino}-5-(3-ethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCOc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1ccc(cc1)Br

STK585548
Synonyms: 7-chloro-2-(6-methyl-1,3-benzothiazol-2-yl)-1-phenyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Cc1ccc2c(c1)sc(n2)N1C(=O)c2c(C1c1ccccc1)c(=O)c1c(o2)ccc(c1)Cl

STK585551
Synonyms: N-(3-bromophenyl)-2-{[4-(4-chlorophenyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: Clc1ccc(cc1)n1c(SCC(=O)Nc2cccc(c2)Br)nnc1c1cccc(c1)C

STK585552
Synonyms: 7-chloro-1-(3,4-dichlorophenyl)-6-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Cc1onc(c1)N1C(=O)c2c(C1c1ccc(c(c1)Cl)Cl)c(=O)c1c(o2)cc(c(c1)Cl)C

STK585553
Synonyms: 13-(4-fluorophenyl)-9,10-dimethoxy-2,3,4,6,7,13-hexahydro-1H-isoquino[2,1-a]quinolin-1-one
Smiles: COc1cc2c(cc1OC)CCN1C2=CC(c2ccc(cc2)F)C2=C1CCCC2=O

STK585554
Synonyms: 4-(4-cyclohexylpiperazin-1-yl)-2,8,10-trimethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidine
Smiles: Cc1cc(N2CCN(CC2)C2CCCCC2)n2c(n1)c1c(C)cc(nc1n2)C

STK585555
Synonyms: 8-ethyl-N-hexyl-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5-amine
Smiles: CCCCCCNc1nc2nnnn2c2c1c1CCN(Cc1s2)CC

STK585557
Synonyms: (5E)-6-hydroxy-5-({[2-(piperidin-1-yl)ethyl]amino}methylidene)-3-[4-(propan-2-yl)phenyl]pyrimidine-2,4(3H,5H)-dione
Smiles: O=C1N=C(O)/C(=C\NCCN2CCCCC2)/C(=O)N1c1ccc(cc1)C(C)C

STK585558
Synonyms: (2Z)-2-[(2E)-(cyclohex-3-en-1-ylmethylidene)hydrazinylidene]-5-{4-[(difluoromethyl)sulfanyl]benzyl}-2,5-dihydro-1,3-thiazol-4-ol
Smiles: FC(Sc1ccc(cc1)CC1S/C(=N\N=C\C2CCC=CC2)/N=C1O)F

STK585559
Synonyms: N-(naphthalen-2-yl)-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide
Smiles: O=C(c1[nH]nc2c1CCCC2)Nc1ccc2c(c1)cccc2

STK585562
Synonyms: 2-hydroxy-1-(4-methoxyphenyl)-6-(1-phenylethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: COc1ccc(cc1)n1c(O)nc(=O)c2c1NCN(C2)C(c1ccccc1)C

STK585563
Synonyms: 9-(4-ethylphenyl)-3-(3-hydroxypropyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: OCCCn1c(=O)n(C)c2c(c1=O)n1CCCN(c1n2)c1ccc(cc1)CC

STK585564
Synonyms: (4E)-4-[furan-2-yl(hydroxy)methylidene]-1-[2-(2-hydroxyethoxy)ethyl]-5-(3-hydroxyphenyl)pyrrolidine-2,3-dione
Smiles: OCCOCCN1C(c2cccc(c2)O)/C(=C(/c2ccco2)\O)/C(=O)C1=O

STK585565
Synonyms: N-[(8-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(2-methylpropyl)acetamide
Smiles: CC(CN(C(=O)C)Cc1cc2cccc(c2[nH]c1=O)C)C

STK585568
Synonyms: 7-ethyl-8-(2-methoxyphenoxy)-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazin-6-one
Smiles: CCc1c(Oc2ccccc2OC)nc2n(c1=O)CCCS2

STK585569
Synonyms: (3S)-N-{(2R)-1-[(4-ethylphenyl)amino]-1-oxopropan-2-yl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Smiles: CCc1ccc(cc1)NC(=O)[C@H](NC(=O)[C@H]1NCc2c(C1)cccc2)C

STK585570
Synonyms: dimethyl5-({(Z)-2-cyano-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethenyl}amino)-3-methylthiophene-2,4-dicarboxylate
Smiles: N#C/C(=C/Nc1sc(c(c1C(=O)OC)C)C(=O)OC)/c1scc(n1)c1ccc(cc1)[N+](=O)[O-]

STK585571
Synonyms: (3S,3a'R,8a'S,8b'S)-5-chloro-2'-(4-fluorophenyl)-7-methyl-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(1H,2'H)-trione
Smiles: Fc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(N3[C@H]2CCC3)C(=O)Nc2c1cc(Cl)cc2C

STK585572
Synonyms: 7-butyl-8-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCn1c(CN2CCN(CC2)c2cc(Cl)ccc2C)nc2c1c(=O)n(c(=O)n2C)C

STK585573
Synonyms: 2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Fc1ccc(cc1)C1N(c2sc3c(n2)c(C)cc(c3)C)C(=O)c2c1c(=O)c1c(o2)cccc1

STK585575
Synonyms: N-[(2Z)-5-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2(3H)-ylidene]acetamide
Smiles: CC(=O)/N=c\1/[nH]nc(s1)SCC(=O)c1ccc(cc1)[N+](=O)[O-]

STK585576
Synonyms: 2-[(2,5-dimethylphenyl)sulfonyl]-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
Smiles: COc1cc2c(cc1OC)CCN(C2C)S(=O)(=O)c1cc(C)ccc1C

STK585577
Synonyms: 1-(4-ethoxy-3-methoxyphenyl)-2-[2-(morpholin-4-yl)ethyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CCOc1ccc(cc1OC)C1N(CCN2CCOCC2)C(=O)c2c1c(=O)c1c(o2)cccc1

STK585578
Synonyms: N-(2-chlorophenyl)-4-(4-chlorophenyl)-1-(4-ethylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: CCc1ccc(cc1)c1c2CCCCn3c2n(c1C(=O)Nc1ccccc1Cl)cc3c1ccc(cc1)Cl

STK585579
Synonyms: 1-benzyl-6-(1-phenylethyl)-2-sulfanyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: CC(N1CNc2c(C1)c(=O)nc(n2Cc1ccccc1)S)c1ccccc1

STK585580
Synonyms: methylN-[(4-fluorophenyl)carbamoyl]-L-valinate
Smiles: COC(=O)[C@H](C(C)C)NC(=O)Nc1ccc(cc1)F

STK585582
Synonyms: 5-methyl-2-[(naphthalen-1-ylmethyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one
Smiles: Cc1cc(=O)n2c(n1)[nH]c(n2)NCc1cccc2c1cccc2

STK585584
Synonyms: 8-(azepan-1-yl)-7-(4-methoxybenzyl)-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazin-6-one
Smiles: COc1ccc(cc1)Cc1c(nc2n(c1=O)CCCS2)N1CCCCCC1

STK585585
Synonyms: 1-(4-fluorophenyl)-N-[(2S)-3-methyl-1-oxo-1-(piperidin-1-yl)butan-2-yl]-5-oxopyrrolidine-3-carboxamide
Smiles: CC([C@@H](C(=O)N1CCCCC1)NC(=O)C1CC(=O)N(C1)c1ccc(cc1)F)C

STK585588
Synonyms: N-[(2E)-3-(3-methoxybenzyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-phenoxyacetamide
Smiles: COc1cccc(c1)CN1/C(=N\C(=O)COc2ccccc2)/SC2C1CS(=O)(=O)C2

STK585590
Synonyms: 7-(2-chlorophenyl)-3-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: Clc1ccccc1n1ncc2c1ncn1c2nnc1c1ccco1

STK585591
Synonyms: 3-[(2-chloro-6-fluorobenzyl)sulfanyl]-5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Smiles: C=CCn1c(SCc2c(F)cccc2Cl)nnc1c1ccccc1

STK585592
Synonyms: 3-(4-chlorophenyl)-1'-(2,2-dimethoxyethyl)-6-hydroxy-6'-nitro-1',4'-dihydro-2H,2'H-spiro[pyrimidine-5,3'-quinoline]-2,4(3H)-dione
Smiles: COC(CN1CC2(Cc3c1ccc(c3)[N+](=O)[O-])C(=NC(=O)N(C2=O)c1ccc(cc1)Cl)O)OC

STK585593
Synonyms: 1-benzyl4-(3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-yl)piperidine-1,4-dicarboxylate
Smiles: O=C(C1CCN(CC1)C(=O)OCc1ccccc1)Oc1cc(C)cc2c1c1CCCCc1c(=O)o2

STK585594
Synonyms: 1',3-dibenzyl-9-methyl-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[benzo[g]pyrido[1,2-a][1,8]naphthyridine-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione
Smiles: Cc1ccc2c(c1)cc1c(n2)N2CCC(CC2C2(C1)C(=O)NC(=O)N(C2=O)Cc1ccccc1)Cc1ccccc1

STK585595
Synonyms: (4E)-1-{5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(3-ethoxyphenyl)pyrrolidine-2,3-dione
Smiles: CCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccc(cc2)Cl)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

STK585597
Synonyms: (2'S,3S,3'S,10b'R)-3'-[(3-methoxyphenyl)carbonyl]-2'-[(4-propylphenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: CCCc1ccc(cc1)C(=O)[C@@H]1[C@@H](C(=O)c2cccc(c2)OC)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK585598
Synonyms: 3-[11-(4-chlorophenyl)-1-hydroxy-3,3-dimethyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-2-benzofuran-1(3H)-one
Smiles: Clc1ccc(cc1)C1C2=C(O)CC(CC2=Nc2c(N1C1OC(=O)c3c1cccc3)cccc2)(C)C

STK585599
Synonyms: 3-[(2E)-2-{[1-(2,4-dichlorobenzyl)-1H-indol-3-yl]methylidene}hydrazinyl]-5H-[1,2,4]triazino[5,6-b]indole
Smiles: Clc1ccc(c(c1)Cl)Cn1cc(c2c1cccc2)/C=N/Nc1nnc2c(n1)[nH]c1c2cccc1

STK585600
Synonyms: 2-{5-[(4-bromobenzyl)sulfanyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl}pyridine
Smiles: Cc1ccc(cc1)n1c(SCc2ccc(cc2)Br)nnc1c1ccccn1

STK585601
Synonyms: (3aR,6aS)-5-(4-acetylphenyl)-3-(3,4-dimethoxyphenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: COc1ccc(cc1OC)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1)C(=O)C

STK585603
Synonyms: 8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(3-oxobutan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(=O)C(n1c(CN2CCN(CC2)c2cccc(c2)Cl)nc2c1c(=O)n(c(=O)n2C)C)C

STK585604
Synonyms: propan-2-yl{[5-(3-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Smiles: CC(OC(=O)CSc1nnc(n1c1ccc(cc1)Cl)c1cccc(c1)Cl)C

STK585605
Synonyms: N-[5-(2-chlorophenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-4-methoxybenzamide
Smiles: COc1ccc(cc1)C(=O)Nn1cc2c(c1c1ccccc1Cl)c(=O)n(c(=O)n2C)C

STK585606
Synonyms: 7-bromo-2-(5-methyl-1,2-oxazol-3-yl)-1-(4-propoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CCCOc1ccc(cc1)C1N(c2noc(c2)C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)Br

STK585607
Synonyms: 4-(butylsulfanyl)-2-(3-methoxyphenyl)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
Smiles: CCCCSc1nc(nc2c1COC(C2)(C)C)c1cccc(c1)OC

STK585611
Synonyms: 4-(4-ethoxyphenyl)-N,1-bis(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: CCOc1ccc(cc1)c1cn2c3n1CCCCc3c(c2C(=O)Nc1ccc(cc1)OC)c1ccc(cc1)OC

STK585613
Synonyms: (5Z)-5-[(1-ethyl-1H-indol-3-yl)methylidene]-3-(2-fluorobenzyl)-2-hydroxy-3,5-dihydro-4H-imidazol-4-one
Smiles: CCn1cc(c2c1cccc2)/C=C/1\N=C(N(C1=O)Cc1ccccc1F)O

STK585616
Synonyms: (1-{2-[(2,4-dimethoxyphenyl)amino]-2-oxoethyl}piperidinium-4-yl)(diphenyl)methanolate
Smiles: COc1cc(OC)ccc1NC(=O)C[NH+]1CCC(CC1)C(c1ccccc1)(c1ccccc1)[O-]

STK585618
Synonyms: 2-[(7,7-dimethyl-2-phenyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1nc(nc2c1COC(C2)(C)C)c1ccccc1

STK585621
Synonyms: 13-methyl-1'-phenyl-1,2,3,4,5,5a-hexahydro-2'H,7H,8H-spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[1,2-a]azepine-6,5'-pyrimidine]-2',4',6',8(1'H,3'H)-tetrone
Smiles: O=C1NC(=O)C2(C(=O)N1c1ccccc1)Cc1c(N3C2CCCCC3)nc2n(c1=O)cccc2C

STK585622
Synonyms: 2-{[4-ethyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide
Smiles: COc1ccccc1c1nnc(n1CC)SCC(=O)Nc1ccc(cc1)Oc1ccccc1

STK585624
Synonyms: (1S,2S)-N'-{(E)-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene}-2-phenylcyclopropanecarbohydrazide
Smiles: COc1ccc(cc1c1ccc(o1)/C=N/NC(=O)[C@H]1C[C@@H]1c1ccccc1)[N+](=O)[O-]

STK585626
Synonyms: N-(3,5-dimethoxyphenyl)-2-{[5-(4-fluorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)Nc2cc(OC)cc(c2)OC)nnc1c1ccc(cc1)F

STK585627
Synonyms: N'-[3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-phenylpropyl]-N,N-diethylpropane-1,3-diamine
Smiles: CCN(CCCNCCC(c1ccccc1)C1CCOC(C1)(C)C)CC

STK585628
Synonyms: (E)-{1-[3-(diethylammonio)propyl]-2-(2-fluorophenyl)-4,5-dioxopyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Smiles: CC[NH+](CCCN1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/[O-])/C1c1ccccc1F)CC

STK585629
Synonyms: 2-amino-5-hydroxy-7-methyl-4-[4-(propan-2-yl)phenyl]-4H-pyrano[3,2-c]pyridine-3-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccc(cc1)C(C)C)c(O)nc(c2)C

STK585630
Synonyms: 3-(4-methylphenyl)-4-(3-nitrophenyl)-5-phenyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: Cc1ccc(cc1)c1[nH]nc2c1C(c1cccc(c1)[N+](=O)[O-])N(C2=O)c1ccccc1

STK585631
Synonyms: N-(3-bromophenyl)-2,4-dihydroxy-6,7-dimethoxyquinoline-3-carboxamide
Smiles: COc1cc2nc(O)c(c(c2cc1OC)O)C(=O)Nc1cccc(c1)Br

STK585633
Synonyms: (1'S,3R,3'S,7a'S)-5''-fluoro-1'-[(4-methylphenyl)carbonyl]-5',6',7',7a'-tetrahydro-1'H-dispiro[indole-3,2'-pyrrolizine-3',3''-indole]-2,2''(1H,1''H)-dione
Smiles: Cc1ccc(cc1)C(=O)[C@@H]1[C@@H]2CCCN2[C@@]2([C@]31C(=O)Nc1c3cccc1)C(=O)Nc1c2cc(F)cc1

STK585634
Synonyms: 3-[(2-chlorobenzyl)sulfanyl]-5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazole
Smiles: COc1ccc(cc1)n1c(nnc1SCc1ccccc1Cl)COc1ccc(cc1)Cl

STK585635
Synonyms: 8-[2-(diethylamino)ethyl]-4-hydroxy-1,7-dimethyl-1H-imidazo[2,1-f]purin-2(8H)-one
Smiles: CCN(CCn1c(C)cn2c1nc1c2c(O)nc(=O)n1C)CC

STK585636
Synonyms: 7-fluoro-1-(2-fluorophenyl)-2-(6-methyl-1,3-benzothiazol-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Cc1ccc2c(c1)sc(n2)N1C(=O)c2c(C1c1ccccc1F)c(=O)c1c(o2)ccc(c1)F

STK585638
Synonyms: (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(4-methylphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
Smiles: Cc1ccc(cc1)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1nnc(s1)C

STK585639
Synonyms: 5-(2-bromophenyl)-4-{[(E)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Brc1ccccc1c1n[nH]c(=S)n1/N=C/c1c(C)nn(c1C)c1ccccc1

STK585640
Synonyms: 3-{2-[(4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)amino]-1,3-thiazol-4-yl}-6-nitro-2H-chromen-2-one
Smiles: COc1c(OC)ccc2c1C(=O)OC2Nc1scc(n1)c1cc2cc(ccc2oc1=O)[N+](=O)[O-]

STK585641
Synonyms: (3a'S,6a'R)-3'-benzyl-7-chloro-5'-(2-methoxyethyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: COCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2ccccc2)C(=O)Nc2c1cccc2Cl

STK585642
Synonyms: N-(2-tert-butylphenyl)-2-{[4-(4-methylphenyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: Cc1ccc(cc1)n1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1c1ccccn1

STK585643
Synonyms: methyl4-[7-chloro-3,9-dioxo-2-(2-phenylethyl)-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate
Smiles: COC(=O)c1ccc(cc1)C1N(CCc2ccccc2)C(=O)c2c1c(=O)c1c(o2)ccc(c1)Cl

STK585644
Synonyms: N,N-dimethyl-3-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]propan-1-amine
Smiles: CN(CCCSc1nc(nc2c1CCCC2)c1ccccc1)C

STK585645
Synonyms: 1-(3,4-dichlorophenyl)-2-{[4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Smiles: O=C(c1ccc(c(c1)Cl)Cl)CSc1nnc(n1c1ccccc1)c1nccnc1

STK585646
Synonyms: (3a'R,8b'S)-2'-tert-butyl-5-chloro-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(1H,2'H)-trione
Smiles: Clc1ccc2c(c1)C1(C(=O)N2)N2CCCC2[C@@H]2[C@H]1C(=O)N(C2=O)C(C)(C)C

STK585647
Synonyms: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
Smiles: O=C(C1ON=C(C1)c1ccc(cc1)F)Nc1ccc2c(c1)OCCO2

STK585649
Synonyms: ethyl[5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]carbamate
Smiles: CCOC(=O)NC1(N=C(N(C1=O)CCc1ccccc1)c1ccccc1)C(F)(F)F

STK585650
Synonyms: 1,1'-dimethyl-6'-nitro-1',4'-dihydro-2H,2'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(1H,3H)-trione
Smiles: O=C1NC(=O)C2(C(=O)N1C)CN(C)c1c(C2)cc(cc1)[N+](=O)[O-]

STK585651
Synonyms: N-(2,4-dimethylphenyl)-2-{[4-(4-methylphenyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: Cc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2C)C)nnc1c1cnccn1

STK585653
Synonyms: N-(3-methoxyphenyl)-2-{[4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1cccc(c1)NC(=O)CSc1nnc(n1c1ccccc1)c1nccnc1

STK585654
Synonyms: N-[(2Z)-3-(4-acetylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]tetrahydrofuran-2-carboxamide
Smiles: O=C(C1CCCO1)/N=C/1\SC2C(N1c1ccc(cc1)C(=O)C)CS(=O)(=O)C2

STK585656
Synonyms: N-(4-fluorophenyl)-4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexanecarboxamide
Smiles: Fc1ccc(cc1)NC(=O)C1CCC(CC1)Cn1nnc2c(c1=O)cccc2

STK585657
Synonyms: 3-[(3a'S,6a'R)-5-chloro-5'-(2-chlorobenzyl)-7-methyl-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)Cc1ccccc1Cl)C(=O)Nc1c2cc(Cl)cc1C

STK585658
Synonyms: (5E)-1-benzyl-5-[(2-phenyl-1H-indol-3-yl)methylidene]-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: O=C1N=C(S)N(C(=O)/C/1=C/c1c([nH]c2c1cccc2)c1ccccc1)Cc1ccccc1