COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION
FULL DB
Total number of items: 1633432
Total number of pages: 1634 ( 1000 items on each page )
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STK757106
Synonyms: methyl2-amino-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: COc1ccc(cc1)C1C(=C(N)N(C2=C1C(=O)CC(C2)(C)C)c1ccccc1)C(=O)OC
STK757107
Synonyms: 1-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-ylN-(1,3-benzodioxol-5-ylmethyl)-N'-phenylcarbamimidothioate
Smiles: COc1ccccc1N1C(=O)CC(C1=O)S/C(=N/c1ccccc1)/NCc1ccc2c(c1)OCO2
STK757108
Synonyms: 1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-ylN-(1,3-benzodioxol-5-ylmethyl)-N'-phenylcarbamimidothioate
Smiles: Clc1cccc(c1)N1C(=O)CC(C1=O)S/C(=N/c1ccccc1)/NCc1ccc2c(c1)OCO2
STK757109
Synonyms: 1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-ylN-(1,3-benzodioxol-5-ylmethyl)-N'-phenylcarbamimidothioate
Smiles: COc1ccc(cc1)N1C(=O)CC(C1=O)S/C(=N/c1ccccc1)/NCc1ccc2c(c1)OCO2
STK757117
Synonyms: 2-amino-4-(4-ethylphenyl)-1-(2-fluorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: CCc1ccc(cc1)C1C(=C(N)N(C2=C1C(=O)CCC2)c1ccccc1F)C#N
STK673952
Synonyms: (2E)-2-(1H-benzimidazol-2-yl)-3-[4-({4-[(2-bromo-4-methylphenyl)amino]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}oxy)-3-methoxyphenyl]prop-2-enenitrile
Smiles: COc1cc(ccc1Oc1nc(nc(n1)N1CCOCC1)Nc1ccc(cc1Br)C)/C=C(/c1nc2c([nH]1)cccc2)\C#N
STK757129
Synonyms: 5-{[5-(2,3-dimethyl-4-nitrophenyl)furan-2-yl]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: O=C1NC(=O)C(=Cc2ccc(o2)c2ccc(c(c2C)C)[N+](=O)[O-])C(=O)N1
STK673954
Synonyms: 4-({6-[(4-iodophenyl)amino][1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl}amino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Smiles: Ic1ccc(cc1)Nc1nc2nonc2nc1Nc1c(C)n(n(c1=O)c1ccccc1)C
STK757140
Synonyms: (2E)-2-[2-(2-fluorophenyl)hydrazinylidene]-3-imino-3-(morpholin-4-yl)propanenitrile
Smiles: N#C/C(=N\Nc1ccccc1F)/C(=N)N1CCOCC1
STK673960
Synonyms: (4E)-4-[2-(4-chlorophenyl)hydrazinylidene]-5-imino-4,5-dihydro-1H-pyrazol-3-amine
Smiles: Clc1ccc(cc1)N/N=C\1/C(=NNC1=N)N
STK757146
Synonyms: (2E)-3-(azepan-1-yl)-3-imino-2-[2-(4-methylphenyl)hydrazinylidene]propanenitrile
Smiles: N#C/C(=N\Nc1ccc(cc1)C)/C(=N)N1CCCCCC1
STK673961
Synonyms: (4E)-5-imino-4-[2-(4-methoxyphenyl)hydrazinylidene]-4,5-dihydro-1H-pyrazol-3-amine
Smiles: COc1ccc(cc1)N/N=C\1/C(=NNC1=N)N
STK757148
Synonyms: (2E)-3-imino-2-[2-(2-methoxyphenyl)hydrazinylidene]-3-(morpholin-4-yl)propanenitrile
Smiles: N#C/C(=N\Nc1ccccc1OC)/C(=N)N1CCOCC1
STK757149
Synonyms: (2E)-1,3-bis(4-chlorophenyl)-3-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one
Smiles: Clc1ccc(cc1)C(=O)/C=C(/n1ncnc1)\c1ccc(cc1)Cl
STK673964
Synonyms: 2-fluoro-N-(3-fluoro-3,3-dinitropropyl)-2,2-dinitroacetamide
Smiles: [O-][N+](=O)C([N+](=O)[O-])(CCNC(=O)C([N+](=O)[O-])([N+](=O)[O-])F)F
STK757151
Synonyms: dimethyl4,10-dioxo-2,8-diphenyl-1,7-dioxadispiro[4.0.4.2]dodeca-2,8-diene-11,12-dicarboxylate
Smiles: COC(=O)C1C(C(=O)OC)C2(C31OC(=CC3=O)c1ccccc1)OC(=CC2=O)c1ccccc1
STK757152
Synonyms: N-(4-methylphenyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamide
Smiles: Cc1ccc(cc1)NC(=O)c1cc(=O)[nH]c(=O)[nH]1
STK757154
Synonyms: 2-oxopropane-1,3-diylbis{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetate}
Smiles: O=C(COC(=O)CSc1nc(C)cc(n1)C)COC(=O)CSc1nc(C)cc(n1)C
STK757155
Synonyms: 2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetate
Smiles: CCc1nnc(s1)NC(=O)COC(=O)CSc1nc(C)cc(n1)C
STK757169
Synonyms: N-(3-chlorophenyl)-6-(piperidin-1-yl)[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine
Smiles: Clc1cccc(c1)Nc1nc2nonc2nc1N1CCCCC1
STK673969
Synonyms: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetamide
Smiles: CCc1nnc(s1)NC(=O)CSc1nnc(c(=O)[nH]1)C
STK757171
Synonyms: ethyl2-amino-7,7-dimethyl-4-(5-methylthiophen-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
Smiles: CCOC(=O)C1=C(N)OC2=C(C1c1ccc(s1)C)C(=O)CC(C2)(C)C
STK757173
Synonyms: 2,6-diamino-4-(4-bromo-5-methylthiophen-2-yl)-4H-thiopyran-3,5-dicarbonitrile
Smiles: N#CC1=C(N)SC(=C(C1c1cc(c(s1)C)Br)C#N)N
STK673970
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(diethylamino)methyl]-N'-[(1E)-1-(4-hydroxy-3-methoxyphenyl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCN(Cc1c(nnn1c1nonc1N)C(=O)N/N=C(/c1ccc(c(c1)OC)O)\C)CC
STK673971
Synonyms: ethyl1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[benzyl(methyl)amino]methyl}-1H-1,2,3-triazole-4-carboxylate
Smiles: CCOC(=O)c1nnn(c1CN(Cc1ccccc1)C)c1nonc1N
STK757187
Synonyms: ethyl1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(thiocyanatomethyl)-1H-1,2,3-triazole-4-carboxylate
Smiles: CCOC(=O)c1nnn(c1CSC#N)c1nonc1N
STK757193
Synonyms: dimethyl4,4'-[[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-3,6-diylbis(sulfanediylmethanediyl)]dibenzoate
Smiles: COC(=O)c1ccc(cc1)CSc1sc2n(n1)c(nn2)SCc1ccc(cc1)C(=O)OC
STK757199
Synonyms: 2,6-diphenyl-4-(phenylethynyl)pyridine
Smiles: c1ccc(cc1)C#Cc1cc(nc(c1)c1ccccc1)c1ccccc1
STK673974
Synonyms: (2Z)-3-(diethylamino)-4-methoxy-4-methyl-1-(4-nitrophenyl)pent-2-en-1-one
Smiles: CCN(/C(=C\C(=O)c1ccc(cc1)[N+](=O)[O-])/C(OC)(C)C)CC
STK757204
Synonyms: methyl1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-1H-1,2,3-triazole-4-carboxylate
Smiles: COC(=O)c1nnn(c1CSc1nc2c(o1)cccc2)c1nonc1N
STK757205
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(methoxymethyl)-1H-1,2,3-triazole-4-carboxamide
Smiles: COCc1c(nnn1c1nonc1N)C(=O)N
STK757206
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
Smiles: NC(=O)c1nnn(c1C)c1nonc1N
STK673982
Synonyms: N-cyclohexyl-2-[(6-{[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidene]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetamide
Smiles: O=C(NC1CCCCC1)CSc1sc2c(n1)ccc(c2)/N=C/c1cc(Br)cc(c1O)Br
STK757209
Synonyms: 2-[(6-{[(E)-anthracen-9-ylmethylidene]amino}-1,3-benzothiazol-2-yl)sulfanyl]-N-cyclohexylacetamide
Smiles: O=C(NC1CCCCC1)CSc1nc2c(s1)cc(cc2)/N=C/c1c2ccccc2cc2c1cccc2
STK673987
Synonyms: 2-[(6-{[(E)-(4-chlorophenyl)methylidene]amino}-1,3-benzothiazol-2-yl)sulfanyl]-N-cyclohexylacetamide
Smiles: O=C(NC1CCCCC1)CSc1nc2c(s1)cc(cc2)/N=C/c1ccc(cc1)Cl
STK757216
Synonyms: N-cyclohexyl-2-[(6-{[(E)-(2-hydroxynaphthalen-1-yl)methylidene]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetamide
Smiles: O=C(NC1CCCCC1)CSc1nc2c(s1)cc(cc2)/N=C/c1c(O)ccc2c1cccc2
STK673991
Synonyms: 2-methyl-2-{[4-(4-methylpiperidin-1-yl)-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]amino}propan-1-ol
Smiles: OCC(Nc1nc(nc(n1)N1CCOCC1)N1CCC(CC1)C)(C)C
STK757222
Synonyms: 6-chloro-N-(4-methoxyphenyl)-N'-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
Smiles: COc1ccc(cc1)Nc1nc(NCc2cccnc2)nc(n1)Cl
STK673992
Synonyms: ethyl5-methoxy-2-methyl-1-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-indole-3-carboxylate
Smiles: CCOC(=O)c1c(C)n(c2c1cc(OC)cc2)CCN1CCN(CC1)c1ccccc1
STK757225
Synonyms: 2-oxo-2-[(2Z)-2-(4-phenylbutan-2-ylidene)hydrazinyl]-N-(1-phenylethyl)acetamide
Smiles: C/C(=N/NC(=O)C(=O)NC(c1ccccc1)C)/CCc1ccccc1
STK673995
Synonyms: [(5Z)-5-(3,5-dichloro-2-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]aceticacid
Smiles: COc1c(cc(cc1Cl)Cl)/C=C/1\SC(=S)N(C1=O)CC(=O)O
STK674001
Synonyms: 2-{[4-(dimethylamino)phenyl]amino}-3,5-dinitrobenzoicacid
Smiles: CN(c1ccc(cc1)Nc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)O)C
STK674002
Synonyms: 3-cyclohexyl-4-methylidene-1-oxa-3-azaspiro[4.5]decan-2-one
Smiles: O=C1OC2(C(=C)N1C1CCCCC1)CCCCC2
STK757239
Synonyms: 3-[(2Z)-4-phenyl-2-(phenylimino)-1,3-thiazol-3(2H)-yl]propan-1-ol
Smiles: OCCCn1/c(=N/c2ccccc2)/scc1c1ccccc1
STK674003
Synonyms: ethyl1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dibutylamino)methyl]-1H-1,2,3-triazole-4-carboxylate
Smiles: CCCCN(Cc1c(nnn1c1nonc1N)C(=O)OCC)CCCC
STK757240
Synonyms: ethyl1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-1H-1,2,3-triazole-4-carboxylate
Smiles: CCOC(=O)c1nnn(c1CN1C(=O)c2c(C1=O)cccc2)c1nonc1N
STK674004
Synonyms: ethyl1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[benzyl(propan-2-yl)amino]methyl}-1H-1,2,3-triazole-4-carboxylate
Smiles: CCOC(=O)c1nnn(c1CN(C(C)C)Cc1ccccc1)c1nonc1N
STK757248
Synonyms: N-(1,3-benzodioxol-5-ylmethyl)-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
Smiles: CCOc1ccc(cc1)N1C(=O)CC(C1=O)N(C(=O)C)Cc1ccc2c(c1)OCO2
STK757255
Synonyms: methyl2-amino-4-(1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxo-1-(4-sulfamoylphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: COC(=O)C1=C(N)N(C2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)(C)C)c1ccc(cc1)S(=O)(=O)N
STK757257
Synonyms: methyl2-amino-4-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: COC(=O)C1=C(N)N(c2ccc(cc2)F)C2=C(C1c1ccc3c(c1)OCO3)C(=O)CCC2
STK757265
Synonyms: 2-(4-{2-[(E)-(dibenzo[b,d]furan-3-ylimino)methyl]-4-nitrophenyl}piperazin-1-yl)ethanol
Smiles: OCCN1CCN(CC1)c1ccc(cc1/C=N/c1ccc2c(c1)oc1c2cccc1)[N+](=O)[O-]
STK757267
Synonyms: 3-{(2E)-2-[2,4-bis(4-methylpiperidin-1-yl)-5-nitrobenzylidene]hydrazinyl}-5-methyl-4H-1,2,4-triazol-4-amine
Smiles: CC1CCN(CC1)c1cc(N2CCC(CC2)C)c(cc1/C=N/Nc1nnc(n1N)C)[N+](=O)[O-]
STK674016
Synonyms: [oxybis(ethane-2,1-diyloxybenzene-3,1-diyl)]bis(phosphonicacid)
Smiles: OP(=O)(c1cccc(c1)OCCOCCOc1cccc(c1)P(=O)(O)O)O
STK757269
Synonyms: 1-[2-nitro-4-(1H-tetrazol-1-yl)phenyl]piperidine
Smiles: [O-][N+](=O)c1cc(ccc1N1CCCCC1)n1cnnn1
STK757284
Synonyms: (2E)-2-{3-[2-nitro-4-(trifluoromethyl)phenoxy]benzylidene}[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Smiles: [O-][N+](=O)c1cc(ccc1Oc1cccc(c1)/C=c\1/sc2n(c1=O)c1c(n2)cccc1)C(F)(F)F
STK757286
Synonyms: 5-{[5-(2,3-dimethyl-4-nitrophenyl)furan-2-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: S=C1NC(=O)C(=Cc2ccc(o2)c2ccc(c(c2C)C)[N+](=O)[O-])C(=O)N1
STK757287
Synonyms: N-(4-fluorophenyl)-6-(4-methylpiperidin-1-yl)[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine
Smiles: CC1CCN(CC1)c1nc2nonc2nc1Nc1ccc(cc1)F
STK757290
Synonyms: 4,5-dimethyl-1H-benzimidazole-2-thiol
Smiles: Cc1ccc2c(c1C)nc([nH]2)S
STK757296
Synonyms: (2E)-6,7-dimethyl-2-[(3-phenyl-1H-pyrazol-4-yl)methylidene][1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Smiles: Cc1cc2nc3n(c2cc1C)c(=O)/c(=C\c1c[nH]nc1c1ccccc1)/s3
STK757315
Synonyms: ethyl2-amino-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-1-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: CCOC(=O)C1=C(N)N(c2ccc(cc2)C)C2=C(C1c1ccc(c(c1)OC)OC)C(=O)CC(C2)(C)C
STK757327
Synonyms: 3-[(2E)-2-(2,3-dichlorobenzylidene)hydrazinyl]-5-methyl-4H-1,2,4-triazol-4-amine
Smiles: Clc1cccc(c1Cl)/C=N/Nc1nnc(n1N)C
STK757329
Synonyms: 10,10-dichloro-N-(4-methoxyphenyl)tricyclo[7.1.0.0~4,6~]decane-5-carboxamide
Smiles: COc1ccc(cc1)NC(=O)C1C2C1CCC1C(CC2)C1(Cl)Cl
STK757356
Synonyms: methyl1-[(4-chlorophenyl)carbonyl]-5-hydroxy-3-(propan-2-yl)-4,5-dihydro-1H-pyrazole-5-carboxylate
Smiles: COC(=O)C1(O)CC(=NN1C(=O)c1ccc(cc1)Cl)C(C)C
STK757358
Synonyms: ethyl2-({[4-(phenylcarbonyl)phenyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)c2ccc(cc2)C(=O)c2ccccc2)sc2c1CCCC2
STK674041
Synonyms: {(5E)-5-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}aceticacid
Smiles: OC(=O)CN1C(=S)S/C(=C/c2cc(n(c2C)c2ccccc2)C)/C1=O
STK674050
Synonyms: 2-[2-(ethylsulfanyl)-1H-benzimidazol-1-yl]-N-(2-nitrophenyl)acetamide
Smiles: CCSc1nc2c(n1CC(=O)Nc1ccccc1[N+](=O)[O-])cccc2
STK757366
Synonyms: 2-amino-1-(4-bromophenyl)-4-{3-[(2-chlorophenoxy)methyl]-4-methoxyphenyl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(N)N(c2ccc(cc2)Br)C2=C(C1c1ccc(c(c1)COc1ccccc1Cl)OC)C(=O)CCC2
STK757369
Synonyms: tert-butyl(8aR)-6-amino-5,7,7-tricyano-8-(furan-3-yl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: N#CC1=C(N)C(C([C@@H]2C1=CCN(C2)C(=O)OC(C)(C)C)c1ccoc1)(C#N)C#N
STK757372
Synonyms: (1S,2S,3aR)-2-[4-(methylsulfanyl)phenyl]-1-(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Smiles: N#CC1(C#N)[C@H](c2ccc(cc2)SC)[C@H](N2[C@@H]1C=Cc1c2cccc1)C(=O)C12CC3CC(C2)CC(C1)C3
STK757374
Synonyms: 6-amino-2-ethyl-8-[4-(methylsulfanyl)phenyl]-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: CCN1CC=C2C(C1)C(c1ccc(cc1)SC)C(C(=C2C#N)N)(C#N)C#N
STK757379
Synonyms: 6-amino-2-ethyl-8-(thiophen-3-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: CCN1CC=C2C(C1)C(c1ccsc1)C(C(=C2C#N)N)(C#N)C#N
STK757403
Synonyms: (2Z,5Z)-2-[(2,6-dimethylphenyl)imino]-3-phenyl-5-[(3-phenyl-1H-pyrazol-4-yl)methylidene]-1,3-thiazolidin-4-one
Smiles: O=C1/C(=C/c2c[nH]nc2c2ccccc2)/S/C(=N\c2c(C)cccc2C)/N1c1ccccc1
STK757407
Synonyms: N'-[(E)-(1-benzyl-1H-indol-3-yl)methylidene]-2-(5-phenyl-2H-tetrazol-2-yl)acetohydrazide
Smiles: O=C(Cn1nnc(n1)c1ccccc1)N/N=C/c1cn(c2c1cccc2)Cc1ccccc1
STK757411
Synonyms: (4-benzylpiperidin-1-yl)[4-(phenylsulfonyl)phenyl]methanone
Smiles: O=C(c1ccc(cc1)S(=O)(=O)c1ccccc1)N1CCC(CC1)Cc1ccccc1
STK674067
Synonyms: 3-({[4-methyl-3-(pyrrolidin-1-ylsulfonyl)phenyl]carbonyl}amino)benzoicacid
Smiles: O=C(c1ccc(c(c1)S(=O)(=O)N1CCCC1)C)Nc1cccc(c1)C(=O)O
STK757418
Synonyms: 3-(quinoxalin-2-yl)phenyl2-chloro-5-(morpholin-4-ylsulfonyl)benzoate
Smiles: O=C(c1cc(ccc1Cl)S(=O)(=O)N1CCOCC1)Oc1cccc(c1)c1cnc2c(n1)cccc2
STK674070
Synonyms: 1-{2-O-acetyl-3,5-bis-O-[(4-methylphenyl)carbonyl]pentofuranosyl}-5-iodopyrimidine-2,4(1H,3H)-dione
Smiles: Cc1ccc(cc1)C(=O)OCC1OC(C(C1OC(=O)c1ccc(cc1)C)OC(=O)C)n1cc(I)c(=O)[nH]c1=O
STK757428
Synonyms: 3-[(2-chlorophenyl)sulfamoyl]-N-phenylbenzamide
Smiles: O=C(c1cccc(c1)S(=O)(=O)Nc1ccccc1Cl)Nc1ccccc1
STK674072
Synonyms: 2-({[3-(diethylsulfamoyl)-4-methoxyphenyl]carbonyl}amino)benzoicacid
Smiles: CCN(S(=O)(=O)c1cc(ccc1OC)C(=O)Nc1ccccc1C(=O)O)CC
STK674074
Synonyms: 2-({[3-(pyrrolidin-1-ylsulfonyl)phenyl]carbonyl}amino)benzoicacid
Smiles: O=C(c1cccc(c1)S(=O)(=O)N1CCCC1)Nc1ccccc1C(=O)O
STK757445
Synonyms: (1E)-1-[1-(2,4-dichlorophenyl)ethylidene]-2-(2,4,6-trichlorophenyl)hydrazine
Smiles: Clc1ccc(c(c1)Cl)/C(=N/Nc1c(Cl)cc(cc1Cl)Cl)/C
STK757450
Synonyms: 3-(benzyloxy)-4,6-dinitro-1,2-benzothiazole
Smiles: [O-][N+](=O)c1cc(cc2c1c(OCc1ccccc1)ns2)[N+](=O)[O-]
STK757453
Synonyms: N-(2-{[(4-methylphenyl)sulfonyl]amino}ethyl)-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide
Smiles: CSc1snc(c1C(=O)NCCNS(=O)(=O)c1ccc(cc1)C)SC
STK757457
Synonyms: (4-fluorophenyl)[4-(piperidin-1-yl)phenyl]methanone
Smiles: Fc1ccc(cc1)C(=O)c1ccc(cc1)N1CCCCC1
STK674082
Synonyms: 4-bromo-N-(1,1-dioxido-1,2-benzothiazol-3-yl)-N'-methyl-N'-[(4-methylphenyl)sulfonyl]benzohydrazide
Smiles: Cc1ccc(cc1)S(=O)(=O)N(N(C1=NS(=O)(=O)c2c1cccc2)C(=O)c1ccc(cc1)Br)C
STK757464
Synonyms: N-(4-fluorophenyl)-N'-(4-iodophenyl)[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
Smiles: Fc1ccc(cc1)Nc1nc2nonc2nc1Nc1ccc(cc1)I
STK757468
Synonyms: 1,4,7-trioxa-10,13-diazacyclopentadecane-9,14-dione
Smiles: O=C1COCCOCCOCC(=O)NCCN1
STK757474
Synonyms: (4Z)-4-[(4-bromo-5-methylthiophen-2-yl)methylidene]-3-phenyl-1,2-oxazol-5(4H)-one
Smiles: O=C1ON=C(/C/1=C/c1cc(c(s1)C)Br)c1ccccc1
STK757476
Synonyms: ethyl4,5-dimethyl-2-{[1-(phenylsulfonyl)prolyl]amino}thiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)C2CCCN2S(=O)(=O)c2ccccc2)sc(c1C)C
STK674087
Synonyms: (4Z,8E)-N-(2-fluorophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
Smiles: O=C(C1C2C1CCC=CCCC=CCC2)Nc1ccccc1F
STK674090
Synonyms: 2-methyl-3,5-dinitro-N-[(E)-(4-nitrophenyl)methylidene]aniline
Smiles: [O-][N+](=O)c1ccc(cc1)/C=N/c1cc(cc(c1C)[N+](=O)[O-])[N+](=O)[O-]
STK674092
Synonyms: benzene-1,4-diylbis[3-(morpholin-4-ylsulfonyl)benzoate]
Smiles: O=C(c1cccc(c1)S(=O)(=O)N1CCOCC1)Oc1ccc(cc1)OC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1
STK757492
Synonyms: 2-{[(1E)-1-(5-chlorothiophen-2-yl)ethylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Smiles: N#Cc1c(/N=C(/c2ccc(s2)Cl)\C)sc2c1CCCC2
STK674094
Synonyms: N,N'-{[5-(phenylcarbonyl)-1,3,7-triazabicyclo[3.3.1]nonane-3,7-diyl]bis(sulfonylbenzene-4,1-diyl)}diacetamide
Smiles: CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CN2CN(CC(C1)(C2)C(=O)c1ccccc1)S(=O)(=O)c1ccc(cc1)NC(=O)C
STK757496
Synonyms: 1,1'-(ethane-1,1-diyldifuran-5,2-diyl)bis(trifluoroethanone)
Smiles: CC(c1ccc(o1)C(=O)C(F)(F)F)c1ccc(o1)C(=O)C(F)(F)F
STK674095
Synonyms: 2-[2,2-bis(trifluoromethyl)-1,3,6-trioxaspiro[4.4]non-8-en-7-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
Smiles: OC(C(F)(F)F)(C(F)(F)F)C1C=CC2(O1)COC(O2)(C(F)(F)F)C(F)(F)F
STK757500
Synonyms: 5-[(2E)-2-(2-methoxybenzylidene)hydrazinyl]-3-(methylsulfanyl)-1,2-thiazole-4-carbonitrile
Smiles: N#Cc1c(N/N=C/c2ccccc2OC)snc1SC
STK757504
Synonyms: 2-(2,4-dichlorophenoxy)-N-(6-methoxyquinolin-8-yl)acetamide
Smiles: COc1cc(NC(=O)COc2ccc(cc2Cl)Cl)c2c(c1)cccn2
STK757506
Synonyms: 1H-imidazol-2-yl[2-(morpholin-4-ylcarbonyl)phenyl]methanone
Smiles: O=C(c1ccccc1C(=O)c1ncc[nH]1)N1CCOCC1
STK757508
Synonyms: 2-methoxy-5-(piperidin-1-ylcarbonothioyl)phenyl3-methylbenzoate
Smiles: COc1ccc(cc1OC(=O)c1cccc(c1)C)C(=S)N1CCCCC1
STK757510
Synonyms: [5-(4-bromophenyl)-3-ethyl-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl](4-methylphenyl)methanone
Smiles: CCC1=NN(C(C1)(O)c1ccc(cc1)Br)C(=O)c1ccc(cc1)C
STK757512
Synonyms: 4,6-dinitro-1,2-benzothiazol-3(2H)-one1-oxide
Smiles: [O-][N+](=O)c1cc(cc2c1c(=O)[nH]s2=O)[N+](=O)[O-]
STK674098
Synonyms: {2-[(4-methylphenyl)sulfanyl]-3-oxo-1,3-diphenylpropyl}propanedinitrile(non-preferredname)
Smiles: N#CC(C(C(C(=O)c1ccccc1)Sc1ccc(cc1)C)c1ccccc1)C#N
STK674103
Synonyms: 3,3'-(piperazine-1,4-diyldicarbonyl)bis(6-chloro-N,N-diethylbenzenesulfonamide)
Smiles: CCN(S(=O)(=O)c1cc(ccc1Cl)C(=O)N1CCN(CC1)C(=O)c1ccc(c(c1)S(=O)(=O)N(CC)CC)Cl)CC
STK674105
Synonyms: methyl1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(azepan-1-ylmethyl)-1H-1,2,3-triazole-4-carboxylate
Smiles: COC(=O)c1nnn(c1CN1CCCCCC1)c1nonc1N
STK674106
Synonyms: 4-amino-5-bromo-1-pentofuranosylpyrimidin-2(1H)-one
Smiles: OCC1OC(C(C1O)O)n1cc(Br)c(nc1=O)N
STK757526
Synonyms: 5-(2,3-dimethyl-4-nitrophenyl)furan-2-carbaldehyde
Smiles: O=Cc1ccc(o1)c1ccc(c(c1C)C)[N+](=O)[O-]
STK674111
Synonyms: 2-[(4-benzylpiperazin-1-yl)methyl]-1-methyl-1H-indole-3-carbonitrile
Smiles: N#Cc1c(CN2CCN(CC2)Cc2ccccc2)n(c2c1cccc2)C
STK757532
Synonyms: ethyl1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1H-benzotriazol-1-ylmethyl)-1H-1,2,3-triazole-4-carboxylate
Smiles: CCOC(=O)c1nnn(c1Cn1nnc2c1cccc2)c1nonc1N
STK757538
Synonyms: 4-methylidene-3-(2-phenylethyl)-1-oxa-3-azaspiro[4.5]decan-2-one
Smiles: O=C1OC2(C(=C)N1CCc1ccccc1)CCCCC2
STK757541
Synonyms: 4,4,6a,6b-tetramethylhexahydro-3H-1-oxa-2a,3-diazacyclopenta[cd]pentalen-2-one
Smiles: O=C1OC2(C3(N1NC(C3CC2)(C)C)C)C
STK757546
Synonyms: N-(2,4-dimethylphenyl)-Nalpha-(phenoxycarbonyl)phenylalaninamide
Smiles: O=C(NC(C(=O)Nc1ccc(cc1C)C)Cc1ccccc1)Oc1ccccc1
STK674118
Synonyms: 2-[5-(2-chlorophenyl)-2H-tetrazol-2-yl]-N'-{(E)-[2,4-di(morpholin-4-yl)-5-nitrophenyl]methylidene}acetohydrazide
Smiles: O=C(Cn1nnc(n1)c1ccccc1Cl)N/N=C/c1cc([N+](=O)[O-])c(cc1N1CCOCC1)N1CCOCC1
STK757551
Synonyms: 5-amino-3-[(Z)-2-(6-chloro-1,3-benzodioxol-5-yl)-1-cyanoethenyl]-1-phenyl-1H-pyrazole-4-carbonitrile
Smiles: N#C/C(=C\c1cc2OCOc2cc1Cl)/c1nn(c(c1C#N)N)c1ccccc1
STK674119
Synonyms: [(2Z)-2-(heptan-4-ylidenehydrazinylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]aceticacid
Smiles: CCCC(=N/N=C/1\SC(C(=O)N1c1ccccc1)CC(=O)O)CCC
STK757555
Synonyms: (2E)-2-(1,3-benzothiazol-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile
Smiles: N#C/C(=C\c1ccc(c(c1)OC)OC)/c1nc2c(s1)cccc2
STK674121
Synonyms: N-(4-chlorophenyl)-1,2-dihydroacenaphthylene-5-carboxamide
Smiles: Clc1ccc(cc1)NC(=O)c1ccc2c3c1cccc3CC2
STK674122
Synonyms: N-[4-(diethylamino)phenyl]-1,2-dihydroacenaphthylene-5-carboxamide
Smiles: CCN(c1ccc(cc1)NC(=O)c1ccc2c3c1cccc3CC2)CC
STK757580
Synonyms: 4-hydroxy-4,5,5-trimethyl-3-(prop-2-en-1-yl)-1,3-oxazolidin-2-one
Smiles: C=CCN1C(=O)OC(C1(C)O)(C)C
STK757582
Synonyms: 2-phenylethyl4-(3-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: CCOc1cc(ccc1O)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCCc1ccccc1
STK674130
Synonyms: 1,5-bis(4-bromophenyl)-4-[(4-bromophenyl)carbonyl]-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
Smiles: Brc1ccc(cc1)C1N(c2ccc(cc2)Br)C(=O)C(=C1C(=O)c1ccc(cc1)Br)O
STK757587
Synonyms: (3E,5E)-1-benzyl-3,5-dibenzylidenepiperidin-4-one
Smiles: O=C1/C(=C/c2ccccc2)/CN(C/C/1=C\c1ccccc1)Cc1ccccc1
STK674132
Synonyms: (4Z)-4-[2-(4-fluorophenyl)hydrazinylidene]-5-imino-4,5-dihydro-1H-pyrazol-3-amine
Smiles: Fc1ccc(cc1)N/N=C/1\C(=NNC1=N)N
STK757591
Synonyms: (2E)-2-[2-(3-fluorophenyl)hydrazinylidene]-3-imino-3-(piperidin-1-yl)propanenitrile
Smiles: N#C/C(=N\Nc1cccc(c1)F)/C(=N)N1CCCCC1
STK674133
Synonyms: (4Z)-4-[2-(3-fluorophenyl)hydrazinylidene]-5-imino-4,5-dihydro-1H-pyrazol-3-amine
Smiles: Fc1cccc(c1)N/N=C/1\C(=NNC1=N)N
STK674135
Synonyms: 1-(diethoxyphosphoryl)cyclopropanecarboxylicacid
Smiles: CCOP(=O)(C1(CC1)C(=O)O)OCC
STK674137
Synonyms: 3-hydroxy-4-[(4Z)-5-oxo-4-(phenylimino)-4,5-dihydrofuran-2-yl]-1,5-diphenyl-1,5-dihydro-2H-pyrrol-2-one
Smiles: O=C1OC(=C/C/1=N/c1ccccc1)C1=C(O)C(=O)N(C1c1ccccc1)c1ccccc1
STK757606
Synonyms: 1-[(2,2-diphenylethenyl)sulfonyl]-4-methylbenzene
Smiles: Cc1ccc(cc1)S(=O)(=O)/C=C(/c1ccccc1)\c1ccccc1
STK757607
Synonyms: 5-[2-(2,4-dimethylpiperidin-1-yl)-5-nitrobenzylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CC1CCN(C(C1)C)c1ccc(cc1C=C1C(=O)NC(=O)NC1=O)[N+](=O)[O-]
STK757610
Synonyms: 6-methoxy-N-[2-(morpholin-4-yl)ethyl]-N'-phenyl-1,3,5-triazine-2,4-diamine
Smiles: COc1nc(NCCN2CCOCC2)nc(n1)Nc1ccccc1
STK674141
Synonyms: 1-{3-[(4-methylphenyl)sulfonyl]-2-phenylimidazolidin-1-yl}-2-(morpholin-4-yl)ethanone
Smiles: Cc1ccc(cc1)S(=O)(=O)N1CCN(C1c1ccccc1)C(=O)CN1CCOCC1
STK757615
Synonyms: 4-(6,6-dimethyl-4-oxo-2-phenyl-4,5,6,7-tetrahydro-1H-indol-1-yl)benzenesulfonamide
Smiles: O=C1CC(C)(C)Cc2c1cc(n2c1ccc(cc1)S(=O)(=O)N)c1ccccc1
STK674144
Synonyms: 2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl5-bromofuran-2-carboxylate
Smiles: O=C(Nc1sc2c(n1)ccc(c2)C)COC(=O)c1ccc(o1)Br
STK674146
Synonyms: methyl1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-methylpiperidin-1-yl)methyl]-1H-1,2,3-triazole-4-carboxylate
Smiles: COC(=O)c1nnn(c1CN1CCC(CC1)C)c1nonc1N
STK757620
Synonyms: N-(4-tert-butyl-3-cyano-1-ethyl-1H-pyrrol-2-yl)acetamide
Smiles: N#Cc1c(NC(=O)C)n(cc1C(C)(C)C)CC
STK757621
Synonyms: ethyl1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(quinolin-8-ylsulfanyl)methyl]-1H-1,2,3-triazole-4-carboxylate
Smiles: CCOC(=O)c1nnn(c1CSc1cccc2c1nccc2)c1nonc1N
STK674148
Synonyms: 2-methyl-4,6-dinitro-1,2-benzothiazol-3(2H)-one
Smiles: [O-][N+](=O)c1cc(cc2c1c(=O)n(s2)C)[N+](=O)[O-]
STK757635
Synonyms: 4-hydroxy-2-oxo-N-phenyl-1,2-dihydroquinoline-3-carboxamide
Smiles: O=C(c1c(=O)[nH]c2c(c1O)cccc2)Nc1ccccc1
STK674154
Synonyms: 1,3,5-tris(4-chlorophenyl)-4,5-dihydro-1H-pyrazole
Smiles: Clc1ccc(cc1)C1=NN(C(C1)c1ccc(cc1)Cl)c1ccc(cc1)Cl
STK757658
Synonyms: ethyl2-[(dimethylamino)methyl]-5-hydroxy-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(CN(C)C)oc2c1cc(O)cc2
STK674165
Synonyms: 2-{[(2E)-2-(acetylamino)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino}butanoicacid
Smiles: CCC(C(=O)O)NC(=O)/C(=C\c1ccc2c(c1)OCO2)/NC(=O)C
STK757674
Synonyms: N-[2-(phenylethynyl)phenyl]furan-2-carboxamide
Smiles: O=C(c1ccco1)Nc1ccccc1C#Cc1ccccc1
STK674170
Synonyms: [2-(2-oxopyrrolidin-1-yl)ethyl]phosphonicacid
Smiles: O=C1CCCN1CCP(=O)(O)O
STK757676
Synonyms: 3-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]phenyl(2E)-3-phenylprop-2-enoate
Smiles: O=C(Oc1cccc(c1)NC1=NS(=O)(=O)c2c1cccc2)/C=C/c1ccccc1
STK674173
Synonyms: methyl1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(piperidin-1-ylmethyl)-1H-1,2,3-triazole-4-carboxylate
Smiles: COC(=O)c1nnn(c1CN1CCCCC1)c1nonc1N
STK757679
Synonyms: ethyl1-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(ethoxycarbonyl)-1H-1,2,3-triazol-5-yl]methyl}piperidine-3-carboxylate
Smiles: CCOC(=O)C1CCCN(C1)Cc1c(nnn1c1nonc1N)C(=O)OCC
STK757685
Synonyms: 5-(3-methoxyphenyl)-3-phenyl-2-thioxo-2,3,5,6-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-7(4H)-one
Smiles: COc1cccc(c1)C1NC(=O)c2c(N1)n(c1ccccc1)c(=S)s2
STK674183
Synonyms: 5-amino-4-cyano-N'-[(E)-(4-hydroxy-3-nitrophenyl)methylidene]-3-methylthiophene-2-carbohydrazide
Smiles: N#Cc1c(N)sc(c1C)C(=O)N/N=C/c1ccc(c(c1)[N+](=O)[O-])O
STK757715
Synonyms: 2-(azepan-1-yl)-N'-[(E)-(2-fluorophenyl)methylidene]-2-oxoacetohydrazide
Smiles: O=C(C(=O)N/N=C/c1ccccc1F)N1CCCCCC1
STK674188
Synonyms: methyl4-[3-({(E)-[4-(methoxycarbonyl)phenyl]methylidene}amino)-4-oxo-1-(propan-2-yl)imidazolidin-2-yl]benzoate
Smiles: COC(=O)c1ccc(cc1)/C=N/N1C(=O)CN(C1c1ccc(cc1)C(=O)OC)C(C)C
STK757718
Synonyms: ethyl2,5,6-trimethyl-4H-thieno[3,2-b]pyrrole-3-carboxylate
Smiles: CCOC(=O)c1c(C)sc2c1[nH]c(c2C)C
STK757721
Synonyms: N-(4-tert-butyl-3-cyano-1-methyl-1H-pyrrol-2-yl)acetamide
Smiles: N#Cc1c(NC(=O)C)n(cc1C(C)(C)C)C
STK757726
Synonyms: N,N'-[(3,4-dimethoxyphenyl)methanediyl]bis(2-phenylacetamide)
Smiles: COc1cc(ccc1OC)C(NC(=O)Cc1ccccc1)NC(=O)Cc1ccccc1
STK757727
Synonyms: 4-bromo-2-(morpholin-4-ylcarbonothioyl)phenyl4-methylbenzoate
Smiles: Brc1ccc(c(c1)C(=S)N1CCOCC1)OC(=O)c1ccc(cc1)C
STK674202
Synonyms: 2,5-dimethyl-3,4-dihydro-2H-cyclopenta[e][1,2,4]triazine-6,6,7,7-tetracarbonitrile
Smiles: N#CC1(C#N)C2=NN(C)CNC2=C(C1(C#N)C#N)C
STK757741
Synonyms: N-(2,5-dimethylphenyl)-Nalpha-(phenoxycarbonyl)phenylalaninamide
Smiles: O=C(NC(C(=O)Nc1cc(C)ccc1C)Cc1ccccc1)Oc1ccccc1
STK757742
Synonyms: 2-ethoxy-4-(piperidin-1-ylcarbonothioyl)phenyl4-bromobenzoate
Smiles: CCOc1cc(ccc1OC(=O)c1ccc(cc1)Br)C(=S)N1CCCCC1
STK757750
Synonyms: 4-[(4-oxo-3,4-dihydroquinolin-1(2H)-yl)carbonyl]-N,N-dipropylbenzenesulfonamide
Smiles: CCCN(S(=O)(=O)c1ccc(cc1)C(=O)N1CCC(=O)c2c1cccc2)CCC
STK757754
Synonyms: N,N'-[(4-butoxyphenyl)methanediyl]bis(2-phenylacetamide)
Smiles: CCCCOc1ccc(cc1)C(NC(=O)Cc1ccccc1)NC(=O)Cc1ccccc1
STK757755
Synonyms: (2E,2'E)-N,N'-(1,3-benzodioxol-5-ylmethanediyl)bis(3-phenylprop-2-enamide)
Smiles: O=C(NC(c1ccc2c(c1)OCO2)NC(=O)/C=C/c1ccccc1)/C=C/c1ccccc1
STK674205
Synonyms: 3,5-dibromo-2-hydroxy-N'-{(E)-[1-(4-iodophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}benzohydrazide
Smiles: Ic1ccc(cc1)n1c(C)cc(c1C)/C=N/NC(=O)c1cc(Br)cc(c1O)Br
STK757764
Synonyms: (2E)-2-cyano-3-{4-[(2,4-dichlorobenzyl)oxy]-3-iodo-5-methoxyphenyl}prop-2-enamide
Smiles: N#C/C(=C\c1cc(I)c(c(c1)OC)OCc1ccc(cc1Cl)Cl)/C(=O)N
STK674208
Synonyms: 1-(2,4-dichlorobenzyl)-2-(ethylsulfanyl)-1H-benzimidazole
Smiles: CCSc1nc2c(n1Cc1ccc(cc1Cl)Cl)cccc2
STK674213
Synonyms: 4-[({6-[(2,2,3,3-tetrafluoropropoxy)carbonyl]cyclohex-3-en-1-yl}carbonyl)amino]benzoicacid
Smiles: FC(C(COC(=O)C1CC=CCC1C(=O)Nc1ccc(cc1)C(=O)O)(F)F)F
STK757780
Synonyms: 2-(methylsulfanyl)-N-{(E)-[5-(phenylsulfanyl)furan-2-yl]methylidene}-1,3-benzothiazol-6-amine
Smiles: CSc1nc2c(s1)cc(cc2)/N=C/c1ccc(o1)Sc1ccccc1
STK757784
Synonyms: ethyl4-[(5-bromo-2,3-dioxo-2,3-dihydro-1H-indol-1-yl)methyl]piperazine-1-carboxylate
Smiles: CCOC(=O)N1CCN(CC1)CN1c2ccc(cc2C(=O)C1=O)Br
STK757791
Synonyms: 3-(dimethylamino)-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-en-1-yl)-1,3-oxazolidin-2-one
Smiles: CC(=CCCC1(C)OC(=O)N(C1(C)O)N(C)C)C
STK674219
Synonyms: butyl4-({[2-(1H-imidazol-2-ylcarbonyl)phenyl]carbonyl}amino)benzoate
Smiles: CCCCOC(=O)c1ccc(cc1)NC(=O)c1ccccc1C(=O)c1ncc[nH]1
STK757797
Synonyms: ethyl3-[(4-methylphenyl)sulfonyl]imidazolidine-1-carboxylate
Smiles: CCOC(=O)N1CCN(C1)S(=O)(=O)c1ccc(cc1)C
STK757800
Synonyms: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Smiles: CCc1nnc(s1)NC(=O)CSc1nnc([nH]1)C
STK674224
Synonyms: 2,2'-piperazine-1,4-diylbis{N-[5-({2-[(4-methylphenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]acetamide}
Smiles: O=C(Nc1nnc(s1)SCC(=O)Nc1ccc(cc1)C)CN1CCN(CC1)CC(=O)Nc1nnc(s1)SCC(=O)Nc1ccc(cc1)C
STK674225
Synonyms: 2,2'-piperazine-1,4-diylbis{N-[5-({2-[(4-acetylphenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]acetamide}
Smiles: O=C(Nc1nnc(s1)SCC(=O)Nc1ccc(cc1)C(=O)C)CN1CCN(CC1)CC(=O)Nc1nnc(s1)SCC(=O)Nc1ccc(cc1)C(=O)C
STK757812
Synonyms: methyl2-amino-4-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: COC(=O)C1=C(N)N(c2ccc(cc2)F)C2=C(C1c1ccc(c(c1)OC)OC)C(=O)CCC2
STK674231
Synonyms: [(dimethylamino)methyl]{[methyl(methylsulfonyl)amino]methyl}phosphinicacid
Smiles: CN(CP(=O)(CN(S(=O)(=O)C)C)O)C
STK757824
Synonyms: 4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-en-1-yl)-3-(pyridin-3-ylmethyl)-1,3-oxazolidin-2-one
Smiles: CC(=CCCC1(C)OC(=O)N(C1(C)O)Cc1cccnc1)C
STK674233
Synonyms: 4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-en-1-yl)-3-(prop-2-en-1-yl)-1,3-oxazolidin-2-one
Smiles: C=CCN1C(=O)OC(C1(C)O)(C)CCC=C(C)C
STK757825
Synonyms: 3-(dimethylamino)-3a,6a-dimethyl-4-(prop-1-en-2-yl)hexahydro-2H-cyclopenta[d][1,3]oxazol-2-one
Smiles: CC(=C)C1CCC2(C1(C)N(N(C)C)C(=O)O2)C
STK674236
Synonyms: 4-[(3-acetylphenyl)amino]-N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-3,5-dinitrobenzamide
Smiles: Cc1cc(C)nc(n1)NS(=O)(=O)c1ccc(cc1)NC(=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])Nc1cccc(c1)C(=O)C
STK757837
Synonyms: N-(furan-2-ylmethyl)-2-(1H-imidazol-2-ylcarbonyl)benzamide
Smiles: O=C(c1ccccc1C(=O)c1ncc[nH]1)NCc1ccco1
STK757844
Synonyms: N-(2,6-dichlorophenyl)-2,2-diphenylcyclopropanecarboxamide
Smiles: O=C(C1CC1(c1ccccc1)c1ccccc1)Nc1c(Cl)cccc1Cl
STK757847
Synonyms: methyl4-{[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]methyl}benzoate
Smiles: COC(=O)c1ccc(cc1)CSc1nnc2n1ncn2N
STK674246
Synonyms: (2E)-5-ethoxy-2-{[(2-methylpropyl)amino]methylidene}-1-benzothiophen-3(2H)-one
Smiles: CCOc1ccc2c(c1)C(=O)/C(=C\NCC(C)C)/S2
STK674256
Synonyms: 1-(thiophen-2-ylcarbonyl)-2,3-dihydroquinolin-4(1H)-one
Smiles: O=C(N1CCC(=O)c2c1cccc2)c1cccs1
STK757862
Synonyms: 2-{[(E)-{4-[(2,4-dichlorobenzyl)oxy]phenyl}methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Smiles: N#Cc1c(/N=C/c2ccc(cc2)OCc2ccc(cc2Cl)Cl)sc2c1CCCC2
STK757865
Synonyms: (2E)-2-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-6,7-dimethyl[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Smiles: Brc1cc2OCOc2cc1/C=c\1/sc2n(c1=O)c1c(n2)cc(c(c1)C)C
STK674259
Synonyms: 4-(4-methyl-3-nitrophenyl)-N-(2-methylphenyl)-1,3-thiazol-2-amine
Smiles: Cc1ccccc1Nc1scc(n1)c1ccc(c(c1)[N+](=O)[O-])C
STK674261
Synonyms: 3,3'-[benzene-1,4-diylbis(oxy)]bis[1-(4-benzylpiperazin-1-yl)propan-2-ol]
Smiles: OC(CN1CCN(CC1)Cc1ccccc1)COc1ccc(cc1)OCC(CN1CCN(CC1)Cc1ccccc1)O
STK674270
Synonyms: ethyl1-(biphenyl-4-ylcarbonyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazole-5-carboxylate
Smiles: CCOC(=O)C1(O)CC(=NN1C(=O)c1ccc(cc1)c1ccccc1)C
STK757887
Synonyms: N-(3,4-dimethylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
Smiles: Cc1ccc(cc1C)Nc1nc2c(s1)CCCC2
STK757888
Synonyms: N-(3-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
Smiles: Cc1cccc(c1)Nc1sc2c(n1)CCC2
STK674271
Synonyms: 2,2'-{benzene-1,3-diylbis[carbonylimino(3-chlorobenzene-4,1-diyl)]}bis(1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylicacid)
Smiles: O=C(c1cccc(c1)C(=O)Nc1ccc(cc1Cl)N1C(=O)c2c(C1=O)cc(cc2)C(=O)O)Nc1ccc(cc1Cl)N1C(=O)c2c(C1=O)cc(cc2)C(=O)O
STK674274
Synonyms: 2-chloro-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoicacid
Smiles: OC(=O)c1ccc(cc1Cl)N1C(=O)c2c(C1=O)cccc2
STK674276
Synonyms: ethyl[5-(dinitromethyl)-4H-1,2,4-triazol-3-yl]acetate
Smiles: CCOC(=O)Cc1nnc([nH]1)C([N+](=O)[O-])[N+](=O)[O-]
STK757900
Synonyms: 3-{(2E)-2-[4-(benzyloxy)-3-methoxybenzylidene]hydrazinyl}-5-methyl-4H-1,2,4-triazol-4-amine
Smiles: COc1cc(/C=N/Nc2nnc(n2N)C)ccc1OCc1ccccc1
STK757906
Synonyms: 2-[(E)-(2-{4-(4-benzylpiperidin-1-yl)-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl}hydrazinylidene)methyl]phenol
Smiles: Cc1ccc(cc1)Nc1nc(N/N=C/c2ccccc2O)nc(n1)N1CCC(CC1)Cc1ccccc1
STK757912
Synonyms: 1-[(E)-{2-[4-(benzylamino)-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]hydrazinylidene}methyl]naphthalen-2-ol
Smiles: Oc1ccc2c(c1/C=N/Nc1nc(NCc3ccccc3)nc(n1)N1CCOCC1)cccc2
STK757913
Synonyms: 4-[(2E)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-N-benzyl-6-(morpholin-4-yl)-1,3,5-triazin-2-amine
Smiles: O1CCN(CC1)c1nc(N/N=C/c2ccc3c(c2)OCO3)nc(n1)NCc1ccccc1
STK757914
Synonyms: 4-bromo-2-[(E)-(2-{4-[(furan-2-ylmethyl)amino]-6-[(4-methoxyphenyl)amino]-1,3,5-triazin-2-yl}hydrazinylidene)methyl]phenol
Smiles: COc1ccc(cc1)Nc1nc(N/N=C/c2cc(Br)ccc2O)nc(n1)NCc1ccco1
STK674291
Synonyms: 2-[(E)-(2-{4-[(2-bromo-4-methylphenyl)amino]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}hydrazinylidene)methyl]-6-nitrophenol
Smiles: Cc1ccc(c(c1)Br)Nc1nc(N/N=C/c2cccc(c2O)[N+](=O)[O-])nc(n1)N1CCOCC1
STK674292
Synonyms: 4-[(2Z)-2-{[5-(2,3-dichlorophenyl)furan-2-yl]methylidene}hydrazinyl]-N-(4-fluorophenyl)-6-(piperidin-1-yl)-1,3,5-triazin-2-amine
Smiles: Fc1ccc(cc1)Nc1nc(N/N=C\c2ccc(o2)c2cccc(c2Cl)Cl)nc(n1)N1CCCCC1
STK674298
Synonyms: 5-{5-[(E)-{2-[4,6-bis(phenylamino)-1,3,5-triazin-2-yl]hydrazinylidene}methyl]furan-2-yl}-2-hydroxybenzoicacid
Smiles: OC(=O)c1cc(ccc1O)c1ccc(o1)/C=N/Nc1nc(Nc2ccccc2)nc(n1)Nc1ccccc1
STK674306
Synonyms: N-(4-fluorophenyl)-4-(morpholin-4-yl)-6-{(2Z)-2-[2-(trifluoromethyl)benzylidene]hydrazinyl}-1,3,5-triazin-2-amine
Smiles: Fc1ccc(cc1)Nc1nc(N/N=C\c2ccccc2C(F)(F)F)nc(n1)N1CCOCC1
STK757939
Synonyms: 6-{(2E)-2-[4-(dimethylamino)benzylidene]hydrazinyl}-N-(4-fluorophenyl)[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine
Smiles: Fc1ccc(cc1)Nc1nc2nonc2nc1N/N=C/c1ccc(cc1)N(C)C
STK674310
Synonyms: N-(4-iodophenyl)-6-{(2E)-2-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine
Smiles: Ic1ccc(cc1)Nc1nc2nonc2nc1N/N=C/c1cc2OCOc2cc1[N+](=O)[O-]
STK674311
Synonyms: N-(4-iodophenyl)-6-{(2E)-2-[4-(morpholin-4-yl)benzylidene]hydrazinyl}[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine
Smiles: Ic1ccc(cc1)Nc1nc2nonc2nc1N/N=C/c1ccc(cc1)N1CCOCC1
STK757940
Synonyms: N-(4-iodophenyl)-6-[(2E)-2-(4-methoxybenzylidene)hydrazinyl][1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine
Smiles: COc1ccc(cc1)/C=N/Nc1nc2nonc2nc1Nc1ccc(cc1)I
STK674312
Synonyms: 2-[(E)-(2-{6-[(4-iodophenyl)amino][1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl}hydrazinylidene)methyl]-4-nitrophenol
Smiles: Ic1ccc(cc1)Nc1nc2nonc2nc1N/N=C/c1cc(ccc1O)[N+](=O)[O-]
STK757941
Synonyms: 6-[(2E)-2-{[5-(2,4-dichlorophenyl)furan-2-yl]methylidene}hydrazinyl]-N-(4-fluorophenyl)[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine
Smiles: Fc1ccc(cc1)Nc1nc2nonc2nc1N/N=C/c1ccc(o1)c1ccc(cc1Cl)Cl
STK674313
Synonyms: N,N'-bis{(E)-[3-(trifluoromethyl)phenyl]methylidene}-4H,8H-bis[1,2,5]oxadiazolo[3,4-b:3',4'-e]pyrazine-4,8-diamine
Smiles: FC(c1cccc(c1)/C=N/n1c2nonc2n(c2c1non2)/N=C/c1cccc(c1)C(F)(F)F)(F)F
STK674314
Synonyms: 2-[(E)-(2-{6-[(4-iodophenyl)amino][1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl}hydrazinylidene)methyl]-4,6-dinitrophenol
Smiles: Ic1ccc(cc1)Nc1nc2nonc2nc1N/N=C/c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-]
STK674315
Synonyms: 5-{5-[(E)-(2-{6-[(4-bromophenyl)amino][1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl}hydrazinylidene)methyl]furan-2-yl}-2-hydroxybenzoicacid
Smiles: Brc1ccc(cc1)Nc1nc2nonc2nc1N/N=C/c1ccc(o1)c1ccc(c(c1)C(=O)O)O
STK674316
Synonyms: 6-[(2E)-2-(3-bromo-4-methoxybenzylidene)hydrazinyl]-N-(4-iodophenyl)[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine
Smiles: COc1ccc(cc1Br)/C=N/Nc1nc2nonc2nc1Nc1ccc(cc1)I
STK757944
Synonyms: 2-[5-(2-cyanophenyl)-2H-tetrazol-2-yl]-N'-[(E)-phenylmethylidene]acetohydrazide
Smiles: N#Cc1ccccc1c1nnn(n1)CC(=O)N/N=C/c1ccccc1
STK674320
Synonyms: N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]-2-(5-phenyl-2H-tetrazol-2-yl)acetohydrazide
Smiles: O=C(Cn1nnc(n1)c1ccccc1)N/N=C/c1cc(ccc1O)[N+](=O)[O-]
STK757959
Synonyms: N'-[(E)-(4-fluorophenyl)methylidene]-2-(5-phenyl-2H-tetrazol-2-yl)acetohydrazide
Smiles: O=C(Cn1nnc(n1)c1ccccc1)N/N=C/c1ccc(cc1)F
STK757961
Synonyms: N'-[(E)-(2-fluorophenyl)methylidene]-2-(5-phenyl-2H-tetrazol-2-yl)acetohydrazide
Smiles: O=C(Cn1nnc(n1)c1ccccc1)N/N=C/c1ccccc1F
STK757964
Synonyms: methyl3-[(E)-{(2Z)-[amino(methylsulfanyl)methylidene]hydrazinylidene}methyl]-2-hydroxybenzoate
Smiles: COC(=O)c1cccc(c1O)/C=N/N=C(\SC)/N
STK674326
Synonyms: 3-hydroxy-3-(3-hydroxy-1-oxo-1-phenylbut-3-en-2-yl)-1,3-dihydro-2H-indol-2-one
Smiles: OC(=C)C(C1(O)C(=O)Nc2c1cccc2)C(=O)c1ccccc1
STK757978
Synonyms: 4-chloro-N-{4-hydroxy-3-[(4-methylphenyl)sulfonyl]naphthalen-1-yl}benzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)c1cc(NS(=O)(=O)c2ccc(cc2)Cl)c2c(c1O)cccc2
STK757980
Synonyms: Nalpha-[(benzyloxy)carbonyl]-N-(3-methylphenyl)tryptophanamide
Smiles: O=C(NC(C(=O)Nc1cccc(c1)C)Cc1c[nH]c2c1cccc2)OCc1ccccc1
STK757982
Synonyms: 4-hydroxy-4-methyl-3-(pyridin-2-ylmethyl)-1-oxa-3-azaspiro[4.5]decan-2-one
Smiles: O=C1OC2(C(N1Cc1ccccn1)(C)O)CCCCC2
STK674335
Synonyms: 2-(4-amino-3,5-dichlorophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylicacid
Smiles: OC(=O)c1ccc2c(c1)C(=O)N(C2=O)c1cc(Cl)c(c(c1)Cl)N
STK674336
Synonyms: 2-(4-carboxy-3-chlorophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylicacid
Smiles: OC(=O)c1ccc2c(c1)C(=O)N(C2=O)c1ccc(c(c1)Cl)C(=O)O
STK757983
Synonyms: 2-amino-4-(4-hydroxy-3-methoxyphenyl)-7,7-dimethyl-3-nitro-4,6,7,8-tetrahydro-5H-chromen-5-one
Smiles: COc1cc(ccc1O)C1C2=C(OC(=C1[N+](=O)[O-])N)CC(CC2=O)(C)C
STK757988
Synonyms: 2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(N)N(C2=C(C1c1ccc(cc1)F)C(=O)CC(C2)(C)C)c1sc2c(c1C#N)CCCCC2
STK757991
Synonyms: 4-(2,4-dimethylbenzyl)-2,5-dimethylpyridine
Smiles: Cc1ccc(c(c1)C)Cc1cc(C)ncc1C
STK674341
Synonyms: 2,1-benzoxaborol-1(3H)-ol
Smiles: OB1OCc2c1cccc2
STK757992
Synonyms: 7-{[(6S)-6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]methoxy}-2H-chromen-2-one
Smiles: CC1=CCC2C(C1COc1ccc3c(c1)oc(=O)cc3)(C)CC[C@@H](C2(C)C)O
STK674344
Synonyms: methyl4-({[4-amino-3-(methylsulfanyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetyl}amino)benzoate
Smiles: COC(=O)c1ccc(cc1)NC(=O)Cn1nc(n(c1=S)N)SC
STK674345
Synonyms: (6,6-dimethyl-4-oxo-2-phenyl-4,5,6,7-tetrahydro-1H-indol-1-yl)aceticacid
Smiles: OC(=O)Cn1c(cc2c1CC(C)(C)CC2=O)c1ccccc1
STK758006
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(1H-benzimidazol-2-ylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: NNC(=O)c1nnn(c1CSc1nc2c([nH]1)cccc2)c1nonc1N
STK674349
Synonyms: 2-{[2,2-bis(trifluoromethyl)aziridin-1-yl]oxy}-2-methylpropanediamide
Smiles: NC(=O)C(C(=O)N)(ON1CC1(C(F)(F)F)C(F)(F)F)C
STK758016
Synonyms: N-(2-phenyl-1H-benzimidazol-6-yl)acetamide
Smiles: CC(=O)Nc1ccc2c(c1)[nH]c(n2)c1ccccc1
STK758021
Synonyms: 2-{[6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl}-N-(2-phenylethyl)acetamide
Smiles: O=C(CSc1nc2c(s1)cc(cc2)N1C(=O)c2c(C1=O)cccc2)NCCc1ccccc1
STK758028
Synonyms: 3-[(4-benzylpiperazin-1-yl)carbonyl]-8-(prop-2-en-1-yl)-2H-chromen-2-one
Smiles: C=CCc1cccc2c1oc(=O)c(c2)C(=O)N1CCN(CC1)Cc1ccccc1
STK758029
Synonyms: 3-benzyl-5-(1H-imidazol-5-ylmethyl)-2-thioxoimidazolidin-4-one
Smiles: S=C1NC(C(=O)N1Cc1ccccc1)Cc1cnc[nH]1
STK674365
Synonyms: (2E)-2-{3,5-dibromo-4-[(4-methylbenzyl)oxy]benzylidene}[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Smiles: Cc1ccc(cc1)COc1c(Br)cc(cc1Br)/C=c\1/sc2n(c1=O)c1c(n2)cccc1
STK758037
Synonyms: 4-bromo-N-(2-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Smiles: O=C(NC1CCCCC1)CSc1sc2c(n1)ccc(c2)NC(=O)c1ccc(cc1)Br
STK758040
Synonyms:
Smiles: O=C1[C@@H]2OC[C@@H](O2)[C@@H]2[C@H]1C1C=CC2C1
STK674370
Synonyms: 1-(3-bromobenzyl)-2-(ethylsulfanyl)-1H-benzimidazole
Smiles: CCSc1nc2c(n1Cc1cccc(c1)Br)cccc2
STK674376
Synonyms: methyl4-({[(6-{[(E)-{4-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-3-nitrophenyl}methylidene]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetyl}amino)benzoate
Smiles: CCOc1ccc2c(c1)sc(n2)Sc1ccc(cc1[N+](=O)[O-])/C=N/c1ccc2c(c1)sc(n2)SCC(=O)Nc1ccc(cc1)C(=O)OC
STK758054
Synonyms: 5-amino-3-[(Z)-1-cyano-2-(3-nitrophenyl)ethenyl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Smiles: OCCn1nc(c(c1N)C#N)/C(=C/c1cccc(c1)[N+](=O)[O-])/C#N
STK674380
Synonyms: N-[(2-methylfuran-3-yl)carbonyl]methionine
Smiles: CSCCC(C(=O)O)NC(=O)c1ccoc1C
STK758060
Synonyms: 3-methyl-4,6-diphenyl-4,5-dihydro-1H-indazole
Smiles: Cc1n[nH]c2c1C(CC(=C2)c1ccccc1)c1ccccc1
STK674383
Synonyms: (2E)-2-[3-methoxy-4-(1H-tetrazol-5-ylmethoxy)benzylidene][1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Smiles: COc1cc(ccc1OCc1nnn[nH]1)/C=c\1/sc2n(c1=O)c1c(n2)cccc1
STK758068
Synonyms: 1-amino-3-(3-bromophenyl)pyrido[1,2-a]benzimidazole-2,4-dicarbonitrile
Smiles: N#Cc1c(c2cccc(c2)Br)c(C#N)c(n2c1nc1c2cccc1)N
STK674387
Synonyms: 3-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one
Smiles: COc1cc(CCN2C(=O)OC(C2(C)O)(C)C)ccc1OC
STK674388
Synonyms: (E)-N'-nitro-2-(3-nitrophenyl)diazenecarboximidamide
Smiles: [O-][N+](=O)/N=C(/N=N/c1cccc(c1)[N+](=O)[O-])\N
STK674389
Synonyms: 2,3-difluoronaphthalene-1-carboxylicacid
Smiles: OC(=O)c1c(F)c(F)cc2c1cccc2
STK674390
Synonyms: methyl2-[({[(5-bromofuran-2-yl)carbonyl]oxy}acetyl)amino]-1,3-benzothiazole-6-carboxylate
Smiles: COC(=O)c1ccc2c(c1)sc(n2)NC(=O)COC(=O)c1ccc(o1)Br
STK674392
Synonyms: 4-{5-[3-(2,4-dichlorophenoxy)propyl]-1,2,4-oxadiazol-3-yl}-1,2,5-oxadiazol-3-amine
Smiles: Clc1ccc(c(c1)Cl)OCCCc1onc(n1)c1nonc1N
STK758084
Synonyms: N~2~,N~4~-bis(furan-2-ylmethyl)-N~6~-(4-nitrophenyl)-1,3,5-triazine-2,4,6-triamine
Smiles: [O-][N+](=O)c1ccc(cc1)Nc1nc(NCc2ccco2)nc(n1)NCc1ccco1
STK758095
Synonyms: 4-acetyl-7-imino-2,2,5-trimethyl-6-oxabicyclo[3.2.1]oct-3-ene-1,8,8-tricarbonitrile
Smiles: N#CC12C(=N)OC(C2(C#N)C#N)(C(=CC1(C)C)C(=O)C)C
STK674394
Synonyms: 3'-amino-5'-methyl-4',7'-dihydrospiro[1,3-dioxolane-2,1'-isoindole]-3a',7a'-dicarbonitrile
Smiles: N#CC12CC=C(CC2(C#N)C(=NC21OCCO2)N)C
STK758096
Synonyms: 5-acetyl-6-methyl-4-(2-methylpropyl)-2-[(3-nitrobenzyl)sulfanyl]-1,4-dihydropyridine-3-carbonitrile
Smiles: N#CC1=C(SCc2cccc(c2)[N+](=O)[O-])NC(=C(C1CC(C)C)C(=O)C)C
STK674402
Synonyms: 4-cyano-3,4-dideoxy-3-(2-methylphenyl)-1-phenyl-2-thio-D-erythro-pent-4-enodialdo-5,2-furanosylamine
Smiles: N#CC1=C(N)S[C@H]([C@@H]1c1ccccc1C)C(=O)c1ccccc1
STK674403
Synonyms: ethyl1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dipropan-2-ylamino)methyl]-1H-1,2,3-triazole-4-carboxylate
Smiles: CCOC(=O)c1nnn(c1CN(C(C)C)C(C)C)c1nonc1N
STK674404
Synonyms: 4-[(Z)-{2-[(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)carbonyl]hydrazinylidene}methyl]benzoicacid
Smiles: O=C(c1c(C)nc2n1cc(Cl)cc2)N/N=C\c1ccc(cc1)C(=O)O
STK758116
Synonyms: N-(2,5-dichlorophenyl)-2-{(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl}-2-oxoacetamide
Smiles: Clc1ccc(c(c1)NC(=O)C(=O)N/N=C/c1c(O)ccc2c1cccc2)Cl
STK674409
Synonyms: 2,5-dimethyl-4-phenyl-1-(propan-2-yl)piperidin-4-ylbenzoate
Smiles: CC(N1CC(C)C(CC1C)(OC(=O)c1ccccc1)c1ccccc1)C
STK758118
Synonyms: 2-[5-(3-chlorophenyl)furan-2-yl]-4,5-diphenyl-1H-imidazole
Smiles: Clc1cccc(c1)c1ccc(o1)c1nc(c([nH]1)c1ccccc1)c1ccccc1
STK758121
Synonyms: 5-(2-methoxyphenyl)-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: C=CCn1c(=S)[nH]nc1c1ccccc1OC
STK674414
Synonyms: 2,2,2-trifluoroethyl4-[(2,6-dimethoxypyrimidin-4-yl)amino]-4-oxobutanoate
Smiles: COc1cc(NC(=O)CCC(=O)OCC(F)(F)F)nc(n1)OC
STK758125
Synonyms: diethyl(4-hydroxyphenyl)phosphonate
Smiles: CCOP(=O)(c1ccc(cc1)O)OCC
STK758140
Synonyms: 5-(4-fluorophenyl)-2-(4-methoxyphenyl)-4-phenyl-1H-imidazole
Smiles: COc1ccc(cc1)c1[nH]c(c(n1)c1ccccc1)c1ccc(cc1)F
STK758141
Synonyms: 1,3-dioxo-2-{4-[oxo(phenyl)acetyl]phenyl}-2,3-dihydro-1H-isoindole-5-carboxylicacid
Smiles: OC(=O)c1ccc2c(c1)C(=O)N(C2=O)c1ccc(cc1)C(=O)C(=O)c1ccccc1
STK758142
Synonyms: 5-(4-fluorophenyl)-2-[4-(methylsulfanyl)phenyl]-4-phenyl-1H-imidazole
Smiles: CSc1ccc(cc1)c1[nH]c(c(n1)c1ccccc1)c1ccc(cc1)F
STK758143
Synonyms: 2-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-4-phenyl-1H-imidazole
Smiles: COc1ccc(cc1OC)c1[nH]c(c(n1)c1ccccc1)c1ccc(cc1)F
STK674419
Synonyms: 2-methyl-2,7-diazaspiro[4.4]nonane-1,3,8-trione
Smiles: O=C1NCC2(C1)CC(=O)N(C2=O)C
STK674428
Synonyms: 6',6'-dimethyl-2-phenyl-2'-thioxo-2,2',3,3',5',6'-hexahydro-1'H-spiro[chromene-4,4'-pyrimidin]-7-ylacetate
Smiles: CC(=O)Oc1ccc2c(c1)OC(CC12NC(=S)NC(C1)(C)C)c1ccccc1
STK758153
Synonyms: N~1~-{(E)-[3,5-diiodo-2-(prop-2-yn-1-yloxy)phenyl]methylidene}-1H-tetrazole-1,5-diamine
Smiles: C#CCOc1c(/C=N/n2nnnc2N)cc(cc1I)I
STK758160
Synonyms: 4-bromo-N-(2-{[2-(cyclopropylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Smiles: O=C(NC1CC1)CSc1nc2c(s1)cc(cc2)NC(=O)c1ccc(cc1)Br
STK674433
Synonyms: N-(2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-butoxybenzamide
Smiles: CCCCOc1ccc(cc1)C(=O)Nc1ccc2c(c1)sc(n2)SCC(=O)c1ccc(cc1)Br
STK758172
Synonyms: methyl2-amino-1-(4-chlorophenyl)-4-(4-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: COc1ccc(cc1)C1C(=C(N)N(C2=C1C(=O)CCC2)c1ccc(cc1)Cl)C(=O)OC
STK758174
Synonyms: methyl2-amino-4-(4-methoxyphenyl)-1-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: COc1ccc(cc1)C1C(=C(N)N(C2=C1C(=O)CCC2)c1ccc(cc1)C)C(=O)OC
STK758176
Synonyms: methyl2-amino-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-1-(4-sulfamoylphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: COC(=O)C1=C(N)N(c2ccc(cc2)S(=O)(=O)N)C2=C(C1c1ccc(c(c1)OC)OC)C(=O)CC(C2)(C)C
STK674438
Synonyms: N-[2-(4-chlorophenoxy)ethyl]-2-[(6-{[(E)-(2-hydroxynaphthalen-1-yl)methylidene]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetamide
Smiles: O=C(CSc1nc2c(s1)cc(cc2)/N=C/c1c(O)ccc2c1cccc2)NCCOc1ccc(cc1)Cl
STK674441
Synonyms: N'-[(E)-(4-hydroxy-3,5-diiodophenyl)methylidene]-4-(4-hydroxyphenoxy)benzohydrazide
Smiles: Oc1ccc(cc1)Oc1ccc(cc1)C(=O)N/N=C/c1cc(I)c(c(c1)I)O
STK674445
Synonyms: 3,3'-[oxybis(1,3-dioxo-1,3-dihydro-2H-isoindole-5,2-diyl)]bis(6-chlorobenzoicacid)
Smiles: O=C1c2cc(ccc2C(=O)N1c1ccc(c(c1)C(=O)O)Cl)Oc1ccc2c(c1)C(=O)N(C2=O)c1ccc(c(c1)C(=O)O)Cl
STK674446
Synonyms: 2-chloro-5-(5-{(Z)-[1-(4-fluorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoicacid
Smiles: Fc1ccc(cc1)N1NC(=O)/C(=C/c2ccc(o2)c2ccc(c(c2)C(=O)O)Cl)/C1=O
STK674448
Synonyms: 5-(5-{(Z)-[1-(4-bromophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)-2-chlorobenzoicacid
Smiles: Brc1ccc(cc1)N1NC(=O)/C(=C/c2ccc(o2)c2ccc(c(c2)C(=O)O)Cl)/C1=O
STK674449
Synonyms: 2-chloro-5-(5-{(Z)-[1-(3,4-dimethylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoicacid
Smiles: O=C1NN(C(=O)/C/1=C\c1ccc(o1)c1ccc(c(c1)C(=O)O)Cl)c1ccc(c(c1)C)C
STK674451
Synonyms: 2-(3-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)oxy]carbonyl}phenyl)-1H-isoindole-1,3(2H)-dione
Smiles: O=C(c1cccc(c1)N1C(=O)c2c(C1=O)cccc2)ON1C(=O)c2c(C1=O)cccc2
STK758183
Synonyms: 1-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea
Smiles: CCSc1nnc(s1)NC(=O)NC(C(F)(F)F)(C(F)(F)F)C
STK758185
Synonyms: N-[4-(naphthalen-1-yl)-1,3-thiazol-2-yl]furan-2-carboxamide
Smiles: O=C(c1ccco1)Nc1scc(n1)c1cccc2c1cccc2
STK758188
Synonyms: (2E)-3-{4-[(2,4-dichlorobenzyl)oxy]-3-methoxyphenyl}-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Smiles: N#C/C(=C\c1ccc(c(c1)OC)OCc1ccc(cc1Cl)Cl)/c1nc2c([nH]1)ccc(c2)C
STK758208
Synonyms: 5-amino-3-{(Z)-2-[2-(benzyloxy)-5-bromophenyl]-1-cyanoethenyl}-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Smiles: OCCn1nc(c(c1N)C#N)/C(=C/c1cc(Br)ccc1OCc1ccccc1)/C#N
STK758209
Synonyms: N-benzyl-4-[(2E)-2-(4-bromobenzylidene)hydrazinyl]-6-(morpholin-4-yl)-1,3,5-triazin-2-amine
Smiles: Brc1ccc(cc1)/C=N/Nc1nc(NCc2ccccc2)nc(n1)N1CCOCC1
STK758215
Synonyms: 4-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethoxy]-1,2,5-oxadiazol-3-amine
Smiles: [O-][N+](=O)c1cnc(n1CCOc1nonc1N)C
STK758216
Synonyms: 3-methyl-4-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethoxy]-1,2,5-oxadiazole
Smiles: [O-][N+](=O)c1cnc(n1CCOc1nonc1C)C
STK758217
Synonyms: 5-amino-3-[(Z)-1-cyano-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Smiles: OCCn1nc(c(c1N)C#N)/C(=C/c1ccc(c(c1)OC)OCC)/C#N
STK758221
Synonyms: (2E)-2-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-N'-nitrohydrazinecarboximidamide
Smiles: COc1ccc(c(c1)[N+](=O)[O-])c1ccc(o1)/C=N/N/C(=N/[N+](=O)[O-])/N
STK674457
Synonyms: 5-(5-bromo-2-hydroxy-3-nitrophenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Smiles: Brc1cc(C2Nc3ccc4c(c3C3=C2C(=O)CC(C3)(C)C)cccc4)c(c(c1)[N+](=O)[O-])O
STK674458
Synonyms: 5-amino-3-[(Z)-2-{3-bromo-4-[(2,4-dichlorobenzyl)oxy]-5-methoxyphenyl}-1-cyanoethenyl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Smiles: OCCn1nc(c(c1N)C#N)/C(=C/c1cc(Br)c(c(c1)OC)OCc1ccc(cc1Cl)Cl)/C#N
STK758228
Synonyms: [4-(2-fluoro-5-methyl-4-nitrophenyl)piperazin-1-yl](phenyl)methanone
Smiles: Fc1cc([N+](=O)[O-])c(cc1N1CCN(CC1)C(=O)c1ccccc1)C
STK758233
Synonyms: 3-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]propyl3-phenylpropanoate
Smiles: O=C(CCc1ccccc1)OCCCNC1=NS(=O)(=O)c2c1cccc2
STK758236
Synonyms: 1-(naphthalen-1-ylmethyl)-5'-phenyl-3'H-spiro[indole-3,2'-[1,3,4]thiadiazol]-2(1H)-one
Smiles: O=C1N(Cc2cccc3c2cccc3)c2c(C31NN=C(S3)c1ccccc1)cccc2
STK674460
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(4-bromo-1-methyl-1H-pyrazol-3-yl)carbonyl]-4-(methoxymethyl)-1H-1,2,3-triazole-5-carbohydrazide
Smiles: COCc1nnn(c1C(=O)NNC(=O)c1nn(cc1Br)C)c1nonc1N
STK758237
Synonyms: 7,7,8a-trimethyl-3-(propan-2-yl)-5-thioxotetrahydro-5H-[1,3]oxazolo[3,2-c]pyrimidin-2(3H)-one
Smiles: CC(C1C(=O)OC2(N1C(=S)NC(C2)(C)C)C)C
STK758248
Synonyms: 2-(morpholin-4-ylcarbonothioyl)phenyl3,4,5-trimethoxybenzoate
Smiles: COc1cc(cc(c1OC)OC)C(=O)Oc1ccccc1C(=S)N1CCOCC1
STK758249
Synonyms: 2-methoxy-4-(piperidin-1-ylcarbonothioyl)phenyl3-nitrobenzoate
Smiles: COc1cc(ccc1OC(=O)c1cccc(c1)[N+](=O)[O-])C(=S)N1CCCCC1
STK674462
Synonyms: ethyl5-hydroxy-3-methyl-1-[(3-methylphenyl)carbonyl]-4,5-dihydro-1H-pyrazole-5-carboxylate
Smiles: CCOC(=O)C1(O)CC(=NN1C(=O)c1cccc(c1)C)C
STK758255
Synonyms: 5-(3-chlorophenyl)-N-(naphthalen-2-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
Smiles: Clc1cccc(c1)c1sc(nc1C(F)(F)F)Nc1ccc2c(c1)cccc2
STK758258
Synonyms: 5-(4-fluorophenyl)-N-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
Smiles: Fc1ccc(cc1)c1sc(nc1C(F)(F)F)Nc1ccccc1
STK758292
Synonyms: N'-[(E)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylidene]-2-(5-phenyl-2H-tetrazol-2-yl)acetohydrazide
Smiles: CCOc1c(I)cc(cc1OC)/C=N/NC(=O)Cn1nnc(n1)c1ccccc1
STK758309
Synonyms: (5E)-5-(3,5-dibromo-4-methoxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: COc1c(Br)cc(cc1Br)/C=C\1/SC(=S)NC1=O
STK674475
Synonyms: {4-[(E)-(2-{4-[(4-fluorophenyl)amino]-6-(piperidin-1-yl)-1,3,5-triazin-2-yl}hydrazinylidene)methyl]-2-methoxyphenoxy}aceticacid
Smiles: COc1cc(/C=N/Nc2nc(Nc3ccc(cc3)F)nc(n2)N2CCCCC2)ccc1OCC(=O)O
STK758320
Synonyms: N'-{(E)-[5-bromo-2-(propan-2-yloxy)phenyl]methylidene}-2-(5-phenyl-2H-tetrazol-2-yl)acetohydrazide
Smiles: CC(Oc1ccc(cc1/C=N/NC(=O)Cn1nnc(n1)c1ccccc1)Br)C
STK674480
Synonyms: (5E)-5-[3-bromo-4-(naphthalen-1-ylmethoxy)benzylidene]-2-thioxo-1,3-thiazolidin-4-one
Smiles: S=C1NC(=O)/C(=C\c2ccc(c(c2)Br)OCc2cccc3c2cccc3)/S1
STK674484
Synonyms: (2E,5E)-3-benzyl-2-(benzylimino)-5-(3-bromo-4,5-dimethoxybenzylidene)-1,3-thiazolidin-4-one
Smiles: COc1c(Br)cc(cc1OC)/C=C\1/S/C(=N/Cc2ccccc2)/N(C1=O)Cc1ccccc1
STK758345
Synonyms: ethyl1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3,4-dihydroquinolin-1(2H)-ylmethyl)-1H-1,2,3-triazole-4-carboxylate
Smiles: CCOC(=O)c1nnn(c1CN1CCCc2c1cccc2)c1nonc1N
STK674485
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylicacid
Smiles: OC(=O)c1nnn(c1C)c1nonc1N
STK674486
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyl-1H-1,2,3-triazole-4-carboxylicacid
Smiles: OC(=O)c1nnn(c1c1ccccc1)c1nonc1N
STK758348
Synonyms: N-[5-bromo-3-(methylsulfanyl)-1,2-thiazol-4-yl]-2,2,2-trifluoroacetamide
Smiles: CSc1nsc(c1NC(=O)C(F)(F)F)Br
STK758357
Synonyms: 2,2'-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-3,6-diyldisulfanediyl)bis[N-(4-acetylphenyl)acetamide]
Smiles: O=C(Nc1ccc(cc1)C(=O)C)CSc1nn2c(s1)nnc2SCC(=O)Nc1ccc(cc1)C(=O)C
STK758359
Synonyms: 2-[(4,6-diphenylpyrimidin-2-yl)sulfanyl]-N-(4-oxo-4,5-dihydro-1,3-thiazol-2-yl)acetamide
Smiles: O=C(NC1=NC(=O)CS1)CSc1nc(cc(n1)c1ccccc1)c1ccccc1
STK758360
Synonyms: 6-chloro-N-cyclopentyl-N'-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
Smiles: COc1ccc(cc1)Nc1nc(Cl)nc(n1)NC1CCCC1
STK758363
Synonyms: (5Z)-2-imino-5-[(3-phenyl-1H-pyrazol-4-yl)methylidene]-1,3-thiazolidin-4-one
Smiles: O=C1NC(=N)S/C/1=C\c1c[nH]nc1c1ccccc1
STK758364
Synonyms: 5-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-nitrophenyl]-1H-tetrazole
Smiles: Cc1nn(c(c1)C)c1ccc(cc1c1nnn[nH]1)[N+](=O)[O-]
STK674496
Synonyms: 2-chloro-5-{(4Z)-4-[2,4-di(morpholin-4-yl)-5-nitrobenzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoicacid
Smiles: CC1=NN(C(=O)/C/1=C\c1cc([N+](=O)[O-])c(cc1N1CCOCC1)N1CCOCC1)c1ccc(c(c1)C(=O)O)Cl
STK674498
Synonyms: 2-chloro-5-{(4Z)-3-methyl-5-oxo-4-[(3-phenyl-1H-pyrazol-4-yl)methylidene]-4,5-dihydro-1H-pyrazol-1-yl}benzoicacid
Smiles: CC1=NN(C(=O)/C/1=C\c1c[nH]nc1c1ccccc1)c1ccc(c(c1)C(=O)O)Cl
STK758374
Synonyms: 2,2-bis[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]-1-phenylethanone
Smiles: O=C(c1ccccc1)C(Sc1nnc2n1ncn2N)Sc1nnc2n1ncn2N
STK758376
Synonyms: N-(4-oxo-4,5-dihydro-1,3-thiazol-2-yl)-2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
Smiles: C=CCn1c2ccccc2c2c1nc(SCC(=O)NC1=NC(=O)CS1)nn2
STK758395
Synonyms: ethyl1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-oxopiperidin-1-yl)methyl]-1H-1,2,3-triazole-4-carboxylate
Smiles: CCOC(=O)c1nnn(c1CN1CCC(=O)CC1)c1nonc1N
STK758396
Synonyms: 2-[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]-1-(thiophen-2-yl)ethanone
Smiles: O=C(c1cccs1)CSc1nnc2n1ncn2N
STK758404
Synonyms: methyl2,4-dihydroxy-3-[(4-nitrophenyl)carbonyl]-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrole-2-carboxylate
Smiles: COC(=O)C1(O)N(c2ccccc2)C(=O)C(=C1C(=O)c1ccc(cc1)[N+](=O)[O-])O
STK674507
Synonyms: 3-phenyl-1-{[(4-phenylcyclohexylidene)amino]oxy}propan-1-one
Smiles: O=C(O/N=C/1\CCC(CC1)c1ccccc1)CCc1ccccc1
STK758411
Synonyms: Nalpha-[(benzyloxy)carbonyl]-N-[2-(1H-indol-3-yl)ethyl]phenylalaninamide
Smiles: O=C(NC(C(=O)NCCc1c[nH]c2c1cccc2)Cc1ccccc1)OCc1ccccc1
STK758418
Synonyms: [3-(benzyloxy)-4-methoxyphenyl](morpholin-4-yl)methanethione
Smiles: COc1ccc(cc1OCc1ccccc1)C(=S)N1CCOCC1
STK758424
Synonyms: N-[(2Z)-4-(biphenyl-4-yl)-3-[2-(4-methoxyphenyl)ethyl]-1,3-thiazol-2(3H)-ylidene]aniline
Smiles: COc1ccc(cc1)CCn1/c(=N/c2ccccc2)/scc1c1ccc(cc1)c1ccccc1
STK758427
Synonyms: N-[(3E)-4-chloro-5-phenyl-3H-1,2-dithiol-3-ylidene]benzenesulfonamide
Smiles: Clc1/c(=N\S(=O)(=O)c2ccccc2)/ssc1c1ccccc1
STK674522
Synonyms: 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl(1,3-benzothiazol-2-ylsulfanyl)acetate
Smiles: O=C(OC1CC2C(C1(C)CC2)(C)C)CSc1nc2c(s1)cccc2
STK674523
Synonyms: 4-methyl-2-oxo-2H-chromen-7-yl(carbamimidoylsulfanyl)acetate
Smiles: O=C(Oc1ccc2c(c1)oc(=O)cc2C)CSC(=N)N
STK758431
Synonyms: 4-[4-(phenylcarbonyl)piperazin-1-yl]-1-oxaspiro[4.5]dec-3-en-2-one
Smiles: O=C1C=C(C2(O1)CCCCC2)N1CCN(CC1)C(=O)c1ccccc1
STK758433
Synonyms: ethyl4-(2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl)piperazine-1-carboxylate
Smiles: CCOC(=O)N1CCN(CC1)C1=CC(=O)OC21CCCCC2
STK758436
Synonyms: 4-[(2-phenylethyl)amino]-1-oxaspiro[4.5]dec-3-en-2-one
Smiles: O=C1C=C(C2(O1)CCCCC2)NCCc1ccccc1
STK758442
Synonyms: 4-(benzylsulfanyl)-3-chloro-6-nitro-1,2-benzothiazole
Smiles: [O-][N+](=O)c1cc(SCc2ccccc2)c2c(c1)snc2Cl
STK674525
Synonyms: 6-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-3-[(2,3,5,6-tetrafluoro-4-methoxyphenyl)carbonyl]-2H-pyran-2,4(3H)-dione
Smiles: COc1c(F)c(F)c(c(c1F)F)C1=CC(=O)C(C(=O)O1)C(=O)c1c(F)c(F)c(c(c1F)F)OC
STK674527
Synonyms: benzyl2-(ethylcarbamoyl)pyrrolidine-1-carboxylate
Smiles: CCNC(=O)C1CCCN1C(=O)OCc1ccccc1
STK758450
Synonyms: 2,6-dimethoxy-4-(morpholin-4-ylcarbonothioyl)phenylphenylacetate
Smiles: COc1cc(cc(c1OC(=O)Cc1ccccc1)OC)C(=S)N1CCOCC1
STK758451
Synonyms: 2-methoxy-4-(piperidin-1-ylcarbonothioyl)phenylbenzoate
Smiles: COc1cc(ccc1OC(=O)c1ccccc1)C(=S)N1CCCCC1
STK758452
Synonyms: 2-ethoxy-4-(morpholin-4-ylcarbonothioyl)phenyl2-chlorobenzoate
Smiles: CCOc1cc(ccc1OC(=O)c1ccccc1Cl)C(=S)N1CCOCC1
STK758453
Synonyms: 2,6-dimethoxy-4-(piperidin-1-ylcarbonothioyl)phenylnaphthalene-1-carboxylate
Smiles: COc1cc(cc(c1OC(=O)c1cccc2c1cccc2)OC)C(=S)N1CCCCC1
STK758459
Synonyms: 1-phenyl-4-(pyrrolidin-1-yl)but-2-yn-1-ol
Smiles: OC(c1ccccc1)C#CCN1CCCC1
STK758460
Synonyms: 4-[(furan-2-ylmethyl)amino]-1-oxaspiro[4.5]dec-3-en-2-one
Smiles: O=C1C=C(C2(O1)CCCCC2)NCc1ccco1
STK758461
Synonyms: 4-{[2-(diethylamino)ethyl]amino}-1-oxaspiro[4.5]dec-3-en-2-one
Smiles: CCN(CCNC1=CC(=O)OC21CCCCC2)CC
STK758464
Synonyms: 4-methoxy-N-{2-[4-(2-phenylpropan-2-yl)phenoxy]-5-(trifluoromethyl)phenyl}benzamide
Smiles: COc1ccc(cc1)C(=O)Nc1cc(ccc1Oc1ccc(cc1)C(c1ccccc1)(C)C)C(F)(F)F
STK758465
Synonyms: 2-[(2,6-dimethylmorpholin-4-yl)methyl]-6-hydroxypyridazin-3(2H)-one
Smiles: CC1OC(C)CN(C1)Cn1nc(O)ccc1=O
STK674530
Synonyms: 1,3-dibenzyl-6-(4-chlorophenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
Smiles: N#Cc1c(c2ccc(cc2)Cl)n(Cc2ccccc2)c(=O)n(c1=O)Cc1ccccc1
STK674538
Synonyms: ethyl6-(1,3-bis{[4-(2,5-dioxopyrrolidin-1-yl)phenyl]carbonyl}-5-methyl-2-oxo-2,3-dihydro-1H-imidazol-4-yl)-6-oxohexanoate
Smiles: CCOC(=O)CCCCC(=O)c1n(C(=O)c2ccc(cc2)N2C(=O)CCC2=O)c(=O)n(c1C)C(=O)c1ccc(cc1)N1C(=O)CCC1=O
STK674539
Synonyms: N-[2-(diethylamino)ethyl]-2-(1H-imidazol-2-ylcarbonyl)benzamide
Smiles: CCN(CCNC(=O)c1ccccc1C(=O)c1ncc[nH]1)CC
STK758481
Synonyms: 4-bromo-2-(piperidin-1-ylcarbonothioyl)phenylbenzoate
Smiles: Brc1ccc(c(c1)C(=S)N1CCCCC1)OC(=O)c1ccccc1
STK758482
Synonyms: 4-bromo-2-(piperidin-1-ylcarbonothioyl)phenylnaphthalene-1-carboxylate
Smiles: Brc1ccc(c(c1)C(=S)N1CCCCC1)OC(=O)c1cccc2c1cccc2
STK758483
Synonyms: 4-bromo-2-(piperidin-1-ylcarbonothioyl)phenyl2-chlorobenzoate
Smiles: Brc1ccc(c(c1)C(=S)N1CCCCC1)OC(=O)c1ccccc1Cl
STK758484
Synonyms: 4-bromo-2-(piperidin-1-ylcarbonothioyl)phenyl4-nitrobenzoate
Smiles: Brc1ccc(c(c1)C(=S)N1CCCCC1)OC(=O)c1ccc(cc1)[N+](=O)[O-]
STK758485
Synonyms: (5-bromo-2-hydroxyphenyl)(morpholin-4-yl)methanethione
Smiles: S=C(c1cc(Br)ccc1O)N1CCOCC1
STK758486
Synonyms: 4-phenyl-2-[2-(pyridin-2-yl)ethyl]phthalazin-1(2H)-one
Smiles: O=c1n(CCc2ccccn2)nc(c2c1cccc2)c1ccccc1
STK758487
Synonyms: 2,6-di-tert-butyl-4-{[4,6-di(morpholin-4-yl)-1,3,5-triazin-2-yl]sulfanyl}phenol
Smiles: Oc1c(cc(cc1C(C)(C)C)Sc1nc(nc(n1)N1CCOCC1)N1CCOCC1)C(C)(C)C
STK758492
Synonyms: 2-chloro-5-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoicacid
Smiles: OC(=O)c1cc(ccc1Cl)N1C(=O)c2c(C1=O)cccc2
STK674545
Synonyms: N-(4-bromophenyl)-2-(1H-imidazol-2-ylcarbonyl)benzamide
Smiles: Brc1ccc(cc1)NC(=O)c1ccccc1C(=O)c1[nH]ccn1
STK674548
Synonyms: 6-(4-hydroxy-4-methyl-2-oxo-1-oxa-3-azaspiro[4.5]dec-3-yl)hexanoicacid
Smiles: OC(=O)CCCCCN1C(=O)OC2(C1(C)O)CCCCC2
STK758510
Synonyms: 1,1,10,10,10a-pentamethyl-5,6,10,10a-tetrahydro-1H-bis[1,3]oxazolo[3,4-d:4',3'-g][1,4]diazepine-3,8-dione
Smiles: O=C1OC(C2=CC3(N(CCN12)C(=O)OC3(C)C)C)(C)C
STK758512
Synonyms: ethyl2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-5-ethylthiophene-3-carboxylate
Smiles: CCOC(=O)c1cc(sc1NC(=O)c1ccc2c(c1)OCO2)CC
STK758513
Synonyms: N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3,5-difluorobenzamide
Smiles: Fc1cc(F)cc(c1)C(=O)Nc1c(C)n(n(c1=O)c1ccccc1)C
STK674557
Synonyms: 1-[(2,2-dichloroethenyl)sulfonyl]-3-nitrobenzene
Smiles: ClC(=CS(=O)(=O)c1cccc(c1)[N+](=O)[O-])Cl
STK674558
Synonyms: ethyl1-(2-{[4-(methoxycarbonyl)phenyl]amino}-2-oxoethyl)-4-phenylpiperidine-4-carboxylate
Smiles: CCOC(=O)C1(CCN(CC1)CC(=O)Nc1ccc(cc1)C(=O)OC)c1ccccc1
STK758539
Synonyms: (2Z)-2-[4-(2,4-dinitrophenoxy)benzylidene]-1-benzothiophen-3(2H)-one
Smiles: [O-][N+](=O)c1cc(ccc1Oc1ccc(cc1)/C=C/1\Sc2c(C1=O)cccc2)[N+](=O)[O-]
STK758547
Synonyms: ethyl(1,1,1,3,3,3-hexafluoro-2-{[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]amino}propan-2-yl)carbamate
Smiles: CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1
STK758548
Synonyms: N-[3-chloro-4-(4-chlorophenoxy)phenyl]acetamide
Smiles: CC(=O)Nc1ccc(c(c1)Cl)Oc1ccc(cc1)Cl
STK758556
Synonyms: benzyl2-(cycloheptylcarbamoyl)-5-oxopyrrolidine-1-carboxylate
Smiles: O=C(C1CCC(=O)N1C(=O)OCc1ccccc1)NC1CCCCCC1
STK758574
Synonyms: N-(3,5-dimethylphenyl)-Nalpha-(phenoxycarbonyl)tryptophanamide
Smiles: O=C(NC(C(=O)Nc1cc(C)cc(c1)C)Cc1c[nH]c2c1cccc2)Oc1ccccc1
STK758579
Synonyms: (2E)-3-(2-bromo-4-ethoxy-5-methoxyphenyl)-2-cyanoprop-2-enamide
Smiles: CCOc1cc(Br)c(cc1OC)/C=C(/C(=O)N)\C#N
STK674580
Synonyms: 2-chloro-N-cyclohexyl-5-(2,5-dioxopyrrolidin-1-yl)benzamide
Smiles: O=C1CCC(=O)N1c1ccc(c(c1)C(=O)NC1CCCCC1)Cl
STK674583
Synonyms: 2,2'-[(2,3,5,6-tetrafluorobenzene-1,4-diyl)bis(oxybenzene-2,1-diyl)]bis(3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione)
Smiles: O=C1C2C3C=CC(C2C(=O)N1c1ccccc1Oc1c(F)c(F)c(c(c1F)F)Oc1ccccc1N1C(=O)C2C(C1=O)C1CC2C=C1)C3
STK674585
Synonyms: ethyl2-({[5-acetyl-3-cyano-6-methyl-4-(2-methylpropyl)-1,4-dihydropyridin-2-yl]sulfanyl}methyl)-5-hydroxy-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(CSC2=C(C#N)C(C(=C(N2)C)C(=O)C)CC(C)C)oc2c1cc(O)cc2
STK758584
Synonyms: N,N-dicyclohexyl-N'-(4-nitrophenyl)benzene-1,4-dicarboxamide
Smiles: O=C(c1ccc(cc1)C(=O)N(C1CCCCC1)C1CCCCC1)Nc1ccc(cc1)[N+](=O)[O-]
STK674592
Synonyms: (2Z,2'Z)-4,4'-[benzene-1,3-diylbis(methanediylimino)]bis(4-oxobut-2-enoicacid)
Smiles: O=C(/C=C\C(=O)O)NCc1cccc(c1)CNC(=O)/C=C\C(=O)O
STK758586
Synonyms: N-[2-(4-chloro-2-methylphenoxy)-4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
Smiles: Clc1ccc(c(c1)C)Oc1cc(ccc1NC(=O)c1cccnc1)C(F)(F)F
STK674594
Synonyms: 11-methyl-N-(1,3-thiazol-2-yl)-9,10-dihydro-9,10-ethanoanthracene-11-carboxamide
Smiles: O=C(C1(C)CC2c3c(C1c1c2cccc1)cccc3)Nc1nccs1
STK674596
Synonyms: 2-(3-nitrophenyl)-2-oxoethyl2,6-bis(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)hexanoate
Smiles: O=C(C(N1C(=O)C2C(C1=O)C1CC2CC1)CCCCN1C(=O)C2C(C1=O)C1CC2CC1)OCC(=O)c1cccc(c1)[N+](=O)[O-]
STK758595
Synonyms: N,N'-bis[(E)-1H-pyrrol-2-ylmethylidene]benzene-1,4-diamine
Smiles: c1ccc([nH]1)/C=N/c1ccc(cc1)/N=C/c1ccc[nH]1
STK758599
Synonyms: 3-benzyl-5-[2-(methylsulfanyl)ethyl]-2-thioxoimidazolidin-4-one
Smiles: CSCCC1NC(=S)N(C1=O)Cc1ccccc1
STK758610
Synonyms: 3,6-diamino-4-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2,5-dicarbonitrile
Smiles: N#Cc1sc2c(c1N)c(c1cc(OC)c(c(c1)OC)OC)c(c(n2)N)C#N
STK674604
Synonyms: 2-{[6-amino-3,5-dicyano-4-(propan-2-yl)pyridin-2-yl]sulfanyl}acetamide
Smiles: N#Cc1c(SCC(=O)N)nc(c(c1C(C)C)C#N)N
STK758612
Synonyms: (4-chlorophenyl){4-[(4-chlorophenyl)sulfanyl]phenyl}methanone
Smiles: Clc1ccc(cc1)Sc1ccc(cc1)C(=O)c1ccc(cc1)Cl
STK758613
Synonyms: (4-chlorophenyl){4-[(4-chlorophenyl)sulfonyl]phenyl}methanone
Smiles: Clc1ccc(cc1)C(=O)c1ccc(cc1)S(=O)(=O)c1ccc(cc1)Cl
STK674608
Synonyms: 3,6-diamino-2-(phenylcarbonyl)-4-(propan-2-yl)thieno[2,3-b]pyridine-5-carbonitrile
Smiles: N#Cc1c(N)nc2c(c1C(C)C)c(N)c(s2)C(=O)c1ccccc1
STK758619
Synonyms: 3-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)propanenitrile
Smiles: N#CCCN1C(=O)OC(C1(C)O)(C)C
STK674612
Synonyms: 2-chloro-N-[5-({2-oxo-2-[(4-sulfamoylphenyl)amino]ethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
Smiles: ClCC(=O)Nc1nnc(s1)SCC(=O)Nc1ccc(cc1)S(=O)(=O)N
STK674613
Synonyms: 1-(2-oxocyclohexyl)ethane-1,1,2,2-tetracarbonitrile
Smiles: N#CC(C(C1CCCCC1=O)(C#N)C#N)C#N
STK674615
Synonyms: 5-[(dibutylamino)methyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylicacid
Smiles: CCCCN(Cc1c(=O)[nH]c(=O)[nH]c1C(=O)O)CCCC
STK674616
Synonyms: 4,4,6a,6b-tetramethyl-3-phenylhexahydro-3H-1-oxa-2a,3-diazacyclopenta[cd]pentalen-2-one
Smiles: O=C1OC2(C3(N1N(c1ccccc1)C(C3CC2)(C)C)C)C
STK758640
Synonyms: N-[(3Z)-4,5-dichloro-3H-1,2-dithiol-3-ylidene]pyridin-2-amine
Smiles: Clc1ss/c(=N\c2ccccn2)/c1Cl
STK758641
Synonyms: 1-(1-hydroxycyclohexyl)-3-(4-methoxyphenyl)propan-1-one
Smiles: COc1ccc(cc1)CCC(=O)C1(O)CCCCC1
STK758645
Synonyms: 2-amino-1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(4-fluorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(N)N(C2=C(C1c1ccc(cc1)F)C(=O)CCC2)c1sc2c(c1C#N)CCCC2
STK758655
Synonyms: 9,9-dimethyl-9a-[(E)-2-(naphthalen-1-yl)ethenyl]-9,9a-dihydro-1H-imidazo[1,2-a]indol-2(3H)-one
Smiles: O=C1CN2C(N1)(/C=C/c1cccc3c1cccc3)C(c1c2cccc1)(C)C
STK758662
Synonyms: 4-(7-methylimidazo[1,2-a]pyridin-2-yl)benzene-1,2-diol
Smiles: Cc1ccn2c(c1)nc(c2)c1ccc(c(c1)O)O
STK758663
Synonyms: 4-(6-methylimidazo[1,2-a]pyridin-2-yl)benzene-1,2-diol
Smiles: Cc1ccc2n(c1)cc(n2)c1ccc(c(c1)O)O
STK674622
Synonyms: 1-[(2-methylnaphthalen-1-yl)methyl]-2-(methylsulfanyl)-1H-benzimidazole
Smiles: CSc1nc2c(n1Cc1c(C)ccc3c1cccc3)cccc2
STK758665
Synonyms: 5-methyl-N-(3-phenoxyphenyl)-3-phenyl-1,2-oxazole-4-carboxamide
Smiles: O=C(c1c(C)onc1c1ccccc1)Nc1cccc(c1)Oc1ccccc1
STK758666
Synonyms: 4-{(E)-(hydroxyimino)[4-(4-methoxy-2-nitrophenyl)piperazin-1-yl]methyl}-1,2,5-oxadiazol-3-amine
Smiles: O/N=C(\c1nonc1N)/N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])OC
STK674624
Synonyms: N-[2-(benzyloxy)-5-(trifluoromethyl)phenyl]-4-bromobenzamide
Smiles: Brc1ccc(cc1)C(=O)Nc1cc(ccc1OCc1ccccc1)C(F)(F)F
STK758667
Synonyms: 2-methyl-N-(3-phenoxyphenyl)-5-phenylfuran-3-carboxamide
Smiles: O=C(c1cc(oc1C)c1ccccc1)Nc1cccc(c1)Oc1ccccc1
STK758668
Synonyms: N-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide
Smiles: CCOc1ccc(cc1NC(=O)C)C(F)(F)F
STK758671
Synonyms: 3-(morpholin-4-ylcarbonothioyl)phenyl3,4,5-trimethoxybenzoate
Smiles: COc1cc(cc(c1OC)OC)C(=O)Oc1cccc(c1)C(=S)N1CCOCC1
STK758684
Synonyms: ethyl6-methyl-4-(4-{[(4-methylphenyl)sulfonyl]oxy}phenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Smiles: CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(cc1)OS(=O)(=O)c1ccc(cc1)C
STK758692
Synonyms: N-phenyl-12-propyl-9,10-dihydro-9,10-ethanoanthracene-11-carboxamide
Smiles: CCCC1C2c3ccccc3C(C1C(=O)Nc1ccccc1)c1c2cccc1
STK758699
Synonyms: phenyl2-[(3,5-dimethylphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate
Smiles: OC1CC(N(C1)C(=O)Oc1ccccc1)C(=O)Nc1cc(C)cc(c1)C
STK758707
Synonyms: 6,7-dimethyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
Smiles: Cc1cc2nc3n(c2cc1C)CCC3
STK758717
Synonyms: 3-[4,5-di(biphenyl-4-yl)-1H-imidazol-2-yl]phenol
Smiles: Oc1cccc(c1)c1nc(c([nH]1)c1ccc(cc1)c1ccccc1)c1ccc(cc1)c1ccccc1
STK758720
Synonyms: 3-hydroxy-3-(6-methoxy-1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-dihydro-2H-indol-2-one
Smiles: COc1ccc2c(c1)CCC(C2=O)C1(O)C(=O)Nc2c1cccc2
STK758735
Synonyms: 1,3,7-trimethyl-8-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
Smiles: O=C(N1CCOCC1)CSc1nc2c(n1C)c(=O)n(c(=O)n2C)C
STK674659
Synonyms: 6-{[2-nitro-4-(trifluoromethyl)phenyl]amino}hexanoicacid
Smiles: OC(=O)CCCCCNc1ccc(cc1[N+](=O)[O-])C(F)(F)F
STK674661
Synonyms: tert-butyl2-[(4-fluorophenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate
Smiles: OC1CC(N(C1)C(=O)OC(C)(C)C)C(=O)Nc1ccc(cc1)F
STK758751
Synonyms: N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
Smiles: COc1ccc(cc1)C(=O)Nc1nnc(s1)Cc1c[nH]c2c1cccc2
STK758753
Synonyms: 2-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]-N-(3,4-dichlorophenyl)benzamide
Smiles: O=C(c1ccccc1NS(=O)(=O)c1cccc2c1nsn2)Nc1ccc(c(c1)Cl)Cl
STK758754
Synonyms: (5Z)-5-{3-[(4-chlorobenzyl)oxy]-4-methoxybenzylidene}-2-thioxo-1,3-thiazolidin-4-one
Smiles: COc1ccc(cc1OCc1ccc(cc1)Cl)/C=C/1\SC(=S)NC1=O
STK758755
Synonyms: 1-tert-butyl2-(2-oxo-2-phenylethyl)4-hydroxypyrrolidine-1,2-dicarboxylate
Smiles: OC1CC(N(C1)C(=O)OC(C)(C)C)C(=O)OCC(=O)c1ccccc1
STK674664
Synonyms: (E)-1-[4-(4-benzylpiperazin-1-yl)-3-nitrophenyl]-N-hydroxymethanimine
Smiles: O/N=C/c1ccc(c(c1)[N+](=O)[O-])N1CCN(CC1)Cc1ccccc1
STK758760
Synonyms: 3-hydroxy-3-(6-methoxy-7-methyl-1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-dihydro-2H-indol-2-one
Smiles: COc1cc2CCC(C(=O)c2cc1C)C1(O)C(=O)Nc2c1cccc2
STK674668
Synonyms: 1,3-dimethyl-4-[(4-methylphenyl)sulfonyl]-1,3-dihydro-2H-imidazol-2-one
Smiles: Cc1ccc(cc1)S(=O)(=O)c1cn(c(=O)n1C)C
STK758766
Synonyms: 6-tert-butyl-2,3,4,9-tetrahydro-1H-carbazol-1-one
Smiles: O=C1CCCc2c1[nH]c1c2cc(cc1)C(C)(C)C
STK758767
Synonyms: 5-chloro-3-methyl-1-phenyl-4-[(E)-(2-phenylhydrazinylidene)methyl]-1H-pyrazole
Smiles: Cc1nn(c(c1/C=N/Nc1ccccc1)Cl)c1ccccc1
STK758768
Synonyms: (2Z)-2-(5-bromo-2-hydroxy-3-iodobenzylidene)-1-benzothiophen-3(2H)-one
Smiles: Brc1cc(/C=C/2\Sc3c(C2=O)cccc3)c(c(c1)I)O
STK758773
Synonyms: 6,7-dihydro-5H-[1,3]dithiolo[4,5-b][1,4]dithiepine-2-thione
Smiles: S=c1sc2c(s1)SCCCS2
STK674677
Synonyms: 6-amino-2-thioxo-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyridine-3,5-dicarbonitrile
Smiles: COc1cc(cc(c1OC)OC)c1c(C#N)c(N)[nH]c(=S)c1C#N
STK674678
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-{3-[(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene]-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: COc1ccc(cc1Cn1nc(c(c1C)Cl)[N+](=O)[O-])/C=N/NC(=O)c1nnn(c1c1ccc(cc1)[N+](=O)[O-])c1nonc1N
STK674683
Synonyms: 4-(3-{[(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)(imino)methyl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)benzoicacid
Smiles: O=C1CC(C(=O)N1c1ccc(cc1)C(=O)O)SC(=N)N1N=C(CC1c1ccccc1)c1ccccc1
STK758782
Synonyms: 3-{[(2E)-2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinyl]carbonyl}benzenesulfonamide
Smiles: O=C1Nc2c(/C/1=N\NC(=O)c1cccc(c1)S(=O)(=O)N)cccc2
STK758786
Synonyms: 3-[(4-chlorophenyl)sulfonyl]-N-cyclopentylbenzenesulfonamide
Smiles: Clc1ccc(cc1)S(=O)(=O)c1cccc(c1)S(=O)(=O)NC1CCCC1
STK758788
Synonyms: N-[(2Z)-3-(4-chlorobenzyl)-4-(4-methylphenyl)-1,3-thiazol-2(3H)-ylidene]aniline
Smiles: Cc1ccc(cc1)c1cs/c(=N\c2ccccc2)/n1Cc1ccc(cc1)Cl
STK674685
Synonyms: (2E)-4-{[2-(3,4-dimethoxyphenyl)ethyl](2,5-dioxo-1-phenylpyrrolidin-3-yl)amino}-4-oxobut-2-enoicacid
Smiles: COc1cc(CCN(C2CC(=O)N(C2=O)c2ccccc2)C(=O)/C=C/C(=O)O)ccc1OC
STK758796
Synonyms: [5-hydroxy-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl](thiophen-2-yl)methanone
Smiles: Oc1ccc2c(c1CN1CCOCC1)c(co2)C(=O)c1cccs1
STK758797
Synonyms: 1-ethyl-6-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylicacid
Smiles: CCn1cc(C(=O)O)c(=O)c2c1ccc(c2)[N+](=O)[O-]
STK674686
Synonyms: 1-(4-acetylphenyl)-5-(4-bromophenyl)-3-hydroxy-4-(phenylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: Brc1ccc(cc1)C1C(=C(C(=O)N1c1ccc(cc1)C(=O)C)O)C(=O)c1ccccc1
STK758806
Synonyms: 6-[(2E)-2-(2,4-dimethoxybenzylidene)hydrazinyl]-N-(2,3-dimethylphenyl)[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine
Smiles: COc1cc(OC)ccc1/C=N/Nc1nc2nonc2nc1Nc1cccc(c1C)C
STK758808
Synonyms: (2E)-3-{2-[(2,4-dichlorobenzyl)oxy]phenyl}-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Smiles: N#C/C(=C\c1ccccc1OCc1ccc(cc1Cl)Cl)/c1nc2c([nH]1)ccc(c2)C
STK758816
Synonyms: N-benzyl-N'-(4-fluorophenyl)-6-(morpholin-4-yl)-1,3,5-triazine-2,4-diamine
Smiles: Fc1ccc(cc1)Nc1nc(NCc2ccccc2)nc(n1)N1CCOCC1
STK758817
Synonyms: N-benzyl-6-(morpholin-4-yl)-N'-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
Smiles: FC(c1cccc(c1)Nc1nc(NCc2ccccc2)nc(n1)N1CCOCC1)(F)F
STK758828
Synonyms: 3-[(2E)-2-{4-[(2,4-dichlorobenzyl)oxy]-3-methoxybenzylidene}hydrazinyl]-5-methyl-4H-1,2,4-triazol-4-amine
Smiles: COc1cc(/C=N/Nc2nnc(n2N)C)ccc1OCc1ccc(cc1Cl)Cl
STK674694
Synonyms: 5-{5-[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]furan-2-yl}-2-hydroxybenzoicacid
Smiles: O=C1N(C)C(=O)C(=Cc2ccc(o2)c2ccc(c(c2)C(=O)O)O)C(=O)N1C
STK674695
Synonyms: (2Z,4Z)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)imino]-4-(4-methoxybenzylidene)-3-phenyl-1,3-thiazolidin-5-one
Smiles: CCc1nnc(s1)/N=C/1\SC(=O)/C(=C/c2ccc(cc2)OC)/N1c1ccccc1
STK758845
Synonyms: 4-phenyl-3-[(E)-{2-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]hydrazinylidene}methyl]-1H-pyrazole
Smiles: Fc1c(N/N=C/c2n[nH]cc2c2ccccc2)c(F)c(c(c1F)C(F)(F)F)F
STK758846
Synonyms: 5-amino-3-[(Z)-2-(3-bromo-4-ethoxy-5-methoxyphenyl)-1-cyanoethenyl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Smiles: CCOc1c(Br)cc(cc1OC)/C=C(/c1nn(c(c1C#N)N)CCO)\C#N
STK758855
Synonyms: N-(4-fluorophenyl)-4-hydrazinyl-6-(morpholin-4-yl)-1,3,5-triazin-2-amine
Smiles: NNc1nc(Nc2ccc(cc2)F)nc(n1)N1CCOCC1
STK758858
Synonyms: 3-[(2E)-2-(4-chlorobenzylidene)hydrazinyl]-4H-1,2,4-triazol-4-amine
Smiles: Clc1ccc(cc1)/C=N/Nc1nncn1N
STK758863
Synonyms: (3Z)-3-[2-(4-nitrophenyl)-2-oxoethylidene]-3,4-dihydroquinoxalin-2(1H)-one
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])/C=c/1\[nH]c2ccccc2[nH]c1=O
STK758864
Synonyms: 4-acetyl-3-hydroxy-5-(4-methoxyphenyl)-1-(4-methylphenyl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: COc1ccc(cc1)C1N(c2ccc(cc2)C)C(=O)C(=C1C(=O)C)O
STK674704
Synonyms: N-(4-methylpyridin-2-yl)nonane-1-sulfonamide
Smiles: CCCCCCCCCS(=O)(=O)Nc1nccc(c1)C
STK758865
Synonyms: N-[(11E)-11H-indeno[1,2-b]quinolin-11-ylidene]-2,5-dimethylaniline
Smiles: Cc1ccc(c(c1)/N=C\1/c2cc3ccccc3nc2c2c1cccc2)C
STK674707
Synonyms: 2,5-dichloro-4,6-dimethylpyridine-3-carboxylicacid
Smiles: OC(=O)c1c(Cl)nc(c(c1C)Cl)C
STK674708
Synonyms: (2-hydroxyphenoxy)aceticacid
Smiles: OC(=O)COc1ccccc1O
STK674710
Synonyms: 5-chloro-6-hydroxy-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
Smiles: N#Cc1c(=O)[nH]c(c(c1C)Cl)O
STK758867
Synonyms: N-{(E)-[2,4-dinitro-6-(phenylsulfanyl)phenyl]methylidene}-4-(morpholin-4-yl)aniline
Smiles: [O-][N+](=O)c1cc(cc(c1/C=N/c1ccc(cc1)N1CCOCC1)Sc1ccccc1)[N+](=O)[O-]
STK758868
Synonyms: (1S,2S,5R)-2-(4-phenyl-5-thioxo-4,5-dihydro-1H-tetrazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one(non-preferredname)
Smiles: O=C1C[C@@H]([C@@H]2O[C@H]1OC2)n1nnn(c1=S)c1ccccc1
STK758869
Synonyms: (1S,2S,5R)-2-(3,4-diphenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one(non-preferredname)
Smiles: O=C1C[C@@H]([C@@H]2O[C@H]1OC2)n1nc(n(c1=S)c1ccccc1)c1ccccc1
STK758873
Synonyms: (1S,2S,5R)-2-[3-(2-chlorophenyl)-4-methyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one(non-preferredname)
Smiles: O=C1C[C@@H]([C@@H]2O[C@H]1OC2)n1nc(n(c1=S)C)c1ccccc1Cl
STK758874
Synonyms: 1,2,6-trimethylpiperidin-4-yl3-(4-methoxyphenyl)-2-phenylpropanoate
Smiles: COc1ccc(cc1)CC(c1ccccc1)C(=O)OC1CC(C)N(C(C1)C)C
STK674711
Synonyms: 1,1'-propane-1,3-diylbis(3,3-dimethyldiaziridine)
Smiles: CC1(C)NN1CCCN1NC1(C)C
STK674714
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(piperidin-1-ylmethyl)-1H-1,2,3-triazole-4-carboxamide
Smiles: NC(=O)c1nnn(c1CN1CCCCC1)c1nonc1N
STK758878
Synonyms: 5-acetyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-methyl-4-propyl-1,4-dihydropyridine-3-carbonitrile
Smiles: CCCC1C(=C(SCC(=O)c2ccc(cc2)Br)NC(=C1C(=O)C)C)C#N
STK758879
Synonyms: 3-methyl-1-(2-methylbut-3-yn-2-yl)-4-phenylpiperidin-4-ol
Smiles: C#CC(N1CCC(C(C1)C)(O)c1ccccc1)(C)C
STK758883
Synonyms: (3E,5E)-1-benzyl-3,5-bis(thiophen-3-ylmethylidene)piperidin-4-one
Smiles: O=C1/C(=C/c2cscc2)/CN(C/C/1=C\c1cscc1)Cc1ccccc1
STK758885
Synonyms: (2E)-2-(4-phenyl-1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile
Smiles: N#C/C(=C\c1cc(OC)c(c(c1)OC)OC)/c1scc(n1)c1ccccc1
STK674716
Synonyms: (2Z)-3-imino-2-[2-(4-nitrophenyl)hydrazinylidene]-3-(piperidin-1-yl)propanenitrile
Smiles: N#C/C(=N/Nc1ccc(cc1)[N+](=O)[O-])/C(=N)N1CCCCC1
STK758891
Synonyms: (2Z)-3-imino-2-[2-(3-nitrophenyl)hydrazinylidene]-3-(piperidin-1-yl)propanenitrile
Smiles: N#C/C(=N/Nc1cccc(c1)[N+](=O)[O-])/C(=N)N1CCCCC1
STK758899
Synonyms: 2-amino-4-(2-methoxyphenyl)-4H-benzo[g]chromene-3-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccccc1OC)cc1c(c2)cccc1
STK758900
Synonyms: prop-2-en-1-yl6-amino-5-cyano-4-(furan-2-yl)-2-methyl-4H-pyran-3-carboxylate
Smiles: C=CCOC(=O)C1=C(C)OC(=C(C1c1ccco1)C#N)N
STK758904
Synonyms: prop-2-en-1-yl6-amino-5-cyano-2-methyl-4-phenyl-4H-pyran-3-carboxylate
Smiles: C=CCOC(=O)C1=C(C)OC(=C(C1c1ccccc1)C#N)N
STK758905
Synonyms: prop-2-en-1-yl6-amino-5-cyano-4-(4-methoxyphenyl)-2-methyl-4H-pyran-3-carboxylate
Smiles: C=CCOC(=O)C1=C(C)OC(=C(C1c1ccc(cc1)OC)C#N)N
STK758908
Synonyms: prop-2-en-1-yl6-amino-4-(4-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
Smiles: C=CCOC(=O)C1=C(C)OC(=C(C1c1ccc(cc1)Cl)C#N)N
STK758912
Synonyms: ethyl6-amino-5-cyano-4-(naphthalen-1-yl)-2-propyl-4H-pyran-3-carboxylate
Smiles: CCOC(=O)C1=C(CCC)OC(=C(C1c1cccc2c1cccc2)C#N)N
STK758917
Synonyms: ethyl6-amino-5-cyano-4-(4-methylphenyl)-2-propyl-4H-pyran-3-carboxylate
Smiles: CCOC(=O)C1=C(CCC)OC(=C(C1c1ccc(cc1)C)C#N)N
STK758922
Synonyms: 2-(3-acetyl-7,8-dimethoxy-1-methyl-4-oxo-4,5-dihydro-3H-2,3-benzodiazepin-5-yl)-N-phenylacetamide
Smiles: COc1cc2C(CC(=O)Nc3ccccc3)C(=O)N(N=C(c2cc1OC)C)C(=O)C
STK758923
Synonyms: 2-(7,8-dimethoxy-1-methyl-4-oxo-4,5-dihydro-3H-2,3-benzodiazepin-5-yl)-N-phenylacetamide
Smiles: COc1cc2C(CC(=O)Nc3ccccc3)C(=O)NN=C(c2cc1OC)C
STK674720
Synonyms: 3-[({6-[(2,2,3,3-tetrafluoropropoxy)carbonyl]cyclohex-3-en-1-yl}carbonyl)amino]benzoicacid
Smiles: O=C(C1CC=CCC1C(=O)OCC(C(F)F)(F)F)Nc1cccc(c1)C(=O)O
STK758933
Synonyms: N,N',N''-tris(3-chlorophenyl)-1,3,5-triazine-2,4,6-triamine
Smiles: Clc1cccc(c1)Nc1nc(Nc2cccc(c2)Cl)nc(n1)Nc1cccc(c1)Cl
STK674723
Synonyms: methyl1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-methylpiperazin-1-yl)methyl]-1H-1,2,3-triazole-4-carboxylate
Smiles: COC(=O)c1nnn(c1CN1CCN(CC1)C)c1nonc1N
STK674725
Synonyms: [2-(4-bromophenyl)-6,6-dimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl]aceticacid
Smiles: OC(=O)Cn1c(cc2c1CC(C)(C)CC2=O)c1ccc(cc1)Br
STK674726
Synonyms: 2-(morpholin-4-yl)-N-(5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide
Smiles: O=C(Nc1nnc(s1)SCC(=O)Nc1ccccc1)CN1CCOCC1
STK758949
Synonyms: ethyl1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate
Smiles: CCOc1ccc2c(c1)sc(n2)SCc1c(nnn1c1nonc1N)C(=O)OCC
STK674729
Synonyms: 4-phenyldecahydroquinolin-4-ol
Smiles: OC1(CCNC2C1CCCC2)c1ccccc1
STK758963
Synonyms: 4-azido-3-chloro-6-nitro-1,2-benzothiazole
Smiles: [N-]=[N+]=Nc1cc(cc2c1c(Cl)ns2)[N+](=O)[O-]
STK758971
Synonyms: N-(4-methylphenyl)-7-phenylbicyclo[3.1.1]heptane-6-carboxamide
Smiles: O=C(C1C2CCCC1C2c1ccccc1)Nc1ccc(cc1)C
STK674736
Synonyms: (2E,6E)-4-tert-butyl-2,6-bis(pyridin-3-ylmethylidene)cyclohexanone
Smiles: O=C1/C(=C/c2cccnc2)/CC(C/C/1=C\c1cccnc1)C(C)(C)C
STK674738
Synonyms: bis(2,2,6,6-tetramethylpiperidin-4-yl)butanedioate
Smiles: O=C(OC1CC(C)(C)NC(C1)(C)C)CCC(=O)OC1CC(C)(C)NC(C1)(C)C
STK758977
Synonyms: N-(4-methoxyphenyl)-N'-(2-{4-[(3-methylphenyl)carbonyl]piperazin-1-yl}ethyl)ethanediamide
Smiles: COc1ccc(cc1)NC(=O)C(=O)NCCN1CCN(CC1)C(=O)c1cccc(c1)C
STK674741
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(cyclopropylcarbonyl)-4-(methoxymethyl)-1H-1,2,3-triazole-5-carbohydrazide
Smiles: COCc1nnn(c1C(=O)NNC(=O)C1CC1)c1nonc1N
STK674744
Synonyms: cyclopropyl[(4aS,9bR)-2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indol-5-yl]methanone
Smiles: CN1CC[C@H]2[C@@H](C1)c1cc(C)ccc1N2C(=O)C1CC1
STK758994
Synonyms: 2-chloroethyl2-[(2-ethoxy-2-oxoethyl)sulfanyl]-1H-benzimidazole-1-carboxylate
Smiles: ClCCOC(=O)n1c(SCC(=O)OCC)nc2c1cccc2
STK674753
Synonyms: 1-[(5-phenoxyfuran-2-yl)methyl]piperidine
Smiles: C1CCN(CC1)Cc1ccc(o1)Oc1ccccc1
STK674763
Synonyms: 1-hydroxy-N-phenylnaphthalene-2-carboxamide
Smiles: O=C(c1ccc2c(c1O)cccc2)Nc1ccccc1
STK759023
Synonyms: 5-(benzylamino)-2-phenyl-1,3-oxazole-4-carbonitrile
Smiles: N#Cc1nc(oc1NCc1ccccc1)c1ccccc1
STK759025
Synonyms: 5,7a-dihydro-4aH-cyclopenta[b][1,3]dithiolo[4,5-e][1,4]dithiine-2-thione
Smiles: S=c1sc2c(s1)SC1C(S2)C=CC1
STK759026
Synonyms: spiro[1,3-dioxolane-2,6'-[1,3]dithiolo[4,5-b][1,4]dithiepine]-2'-thione
Smiles: S=c1sc2c(s1)SCC1(CS2)OCCO1
STK674767
Synonyms: 9,9a-dihydro-4aH-[1,3]dithiolo[4,5-b]indeno[1,2-e][1,4]dithiin-2-one
Smiles: O=c1sc2c(s1)SC1C(S2)c2ccccc2C1
STK674771
Synonyms: 1-(2,5-diphenyl-1,3-oxazol-4-yl)-5-methylpyrimidine-2,4(1H,3H)-dione
Smiles: O=c1[nH]c(=O)n(cc1C)c1nc(oc1c1ccccc1)c1ccccc1
STK759037
Synonyms: 2,2-dichloro-N-(2-fluorophenyl)-3-phenylcyclopropanecarboxamide
Smiles: Fc1ccccc1NC(=O)C1C(C1(Cl)Cl)c1ccccc1
STK759044
Synonyms: N-(3,4-dichlorophenyl)-2-(4-methylpiperazin-1-yl)-5-nitrobenzamide
Smiles: CN1CCN(CC1)c1ccc(cc1C(=O)Nc1ccc(c(c1)Cl)Cl)[N+](=O)[O-]
STK759045
Synonyms: 4-(cyclohexylcarbonyl)-1-(2-phenylethyl)-3,4-dihydropyrazin-2(1H)-one
Smiles: O=C(N1C=CN(C(=O)C1)CCc1ccccc1)C1CCCCC1
STK674779
Synonyms: 4-(4-benzylpiperidin-1-yl)-6-{(2E)-2-[3,5-diiodo-2-(prop-2-yn-1-yloxy)benzylidene]hydrazinyl}-N-(4-methoxyphenyl)-1,3,5-triazin-2-amine
Smiles: C#CCOc1c(/C=N/Nc2nc(Nc3ccc(cc3)OC)nc(n2)N2CCC(CC2)Cc2ccccc2)cc(cc1I)I
STK759048
Synonyms: 2-ethoxy-4-{(E)-[2-(pentafluorophenyl)hydrazinylidene]methyl}phenol
Smiles: CCOc1cc(/C=N/Nc2c(F)c(F)c(c(c2F)F)F)ccc1O
STK674789
Synonyms: ethyl2-(6-methyl-2-thioxohexahydropyrimidin-4-yl)-3-oxo-3-phenylpropanoate
Smiles: CCOC(=O)C(C(=O)c1ccccc1)C1CC(C)NC(=S)N1
STK674790
Synonyms: 4-[2-(2-fluorophenyl)-4-hydroxy-5-oxo-3-(phenylcarbonyl)-2,5-dihydro-1H-pyrrol-1-yl]-3-phenylbutanoicacid
Smiles: OC(=O)CC(c1ccccc1)CN1C(=O)C(=C(C1c1ccccc1F)C(=O)c1ccccc1)O
STK759068
Synonyms: 4-acetyl-1-benzyl-5-(2-fluorophenyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
Smiles: O=C1N(Cc2ccccc2)C(C(=C1O)C(=O)C)c1ccccc1F
STK759073
Synonyms: 4-acetyl-3-hydroxy-5-phenyl-1-[3-(trifluoromethyl)phenyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: CC(=O)C1=C(O)C(=O)N(C1c1ccccc1)c1cccc(c1)C(F)(F)F
STK759078
Synonyms: 4-{[5-(ethoxycarbonyl)-5-methyl-2-oxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]amino}benzoicacid
Smiles: CCOC(=O)C1(C)C=C(C(=O)N1c1ccccc1)Nc1ccc(cc1)C(=O)O
STK759090
Synonyms: 4-hydroxy-N'-{(E)-[2-(morpholin-4-yl)-5-nitrophenyl]methylidene}butanehydrazide
Smiles: OCCCC(=O)N/N=C/c1cc(ccc1N1CCOCC1)[N+](=O)[O-]
STK759092
Synonyms: quinolin-8-yl(1E)-N-(2-nitrophenyl)-2-oxopropanehydrazonothioate
Smiles: CC(=O)/C(=N\Nc1ccccc1[N+](=O)[O-])/Sc1cccc2c1nccc2
STK759093
Synonyms: 2-(benzylsulfanyl)-N-{(E)-[5-(4-nitrophenyl)furan-2-yl]methylidene}-1,3-benzothiazol-6-amine
Smiles: [O-][N+](=O)c1ccc(cc1)c1ccc(o1)/C=N/c1ccc2c(c1)sc(n2)SCc1ccccc1
STK759097
Synonyms: 3-(4-chlorophenyl)-7-[(E)-phenyldiazenyl]imidazo[1,2-b][1,2]oxazol-6-amine
Smiles: Clc1ccc(cc1)c1cnc2n1oc(c2/N=N/c1ccccc1)N
STK759104
Synonyms: propyl5-{(2R,3R,4S)-3,4-bis[(methoxycarbonyl)amino]tetrahydrothiophen-2-yl}pentanoate
Smiles: CCCOC(=O)CCCC[C@H]1SC[C@H]([C@H]1NC(=O)OC)NC(=O)OC
STK759105
Synonyms: 3,4-dichloro-N-[2-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)-1,3-benzothiazol-6-yl]benzamide
Smiles: O=C(CSc1nc2c(s1)cc(cc2)NC(=O)c1ccc(c(c1)Cl)Cl)NCCc1ccccc1
STK674805
Synonyms: 3-({[3-(azepan-1-ylsulfonyl)-4-chlorophenyl]carbonyl}amino)benzoicacid
Smiles: O=C(c1ccc(c(c1)S(=O)(=O)N1CCCCCC1)Cl)Nc1cccc(c1)C(=O)O
STK759109
Synonyms: 2,2-diphenyl-N-(prop-2-en-1-yl)cyclopropanecarboxamide
Smiles: C=CCNC(=O)C1CC1(c1ccccc1)c1ccccc1
STK759115
Synonyms: 2-bromo-N'-({4-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]phenyl}carbonyl)benzohydrazide
Smiles: O=C(c1ccc(cc1)C(=O)Cn1nc(c(c1C)Cl)C)NNC(=O)c1ccccc1Br
STK759118
Synonyms: 2-[2-nitro-4-(trifluoromethyl)phenoxy]-N-[3-(trifluoromethyl)phenyl]benzamide
Smiles: O=C(c1ccccc1Oc1ccc(cc1[N+](=O)[O-])C(F)(F)F)Nc1cccc(c1)C(F)(F)F
STK759121
Synonyms: 5,5-dibutyl-2-(4-methylphenyl)-1,2,4-triazolidine-3-thione
Smiles: CCCCC1(CCCC)NC(=S)N(N1)c1ccc(cc1)C
STK759130
Synonyms: N,N'-bis[3-(trifluoromethyl)phenyl][1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
Smiles: FC(c1cccc(c1)Nc1nc2nonc2nc1Nc1cccc(c1)C(F)(F)F)(F)F
STK674820
Synonyms: (2E,2'E)-N,N'-{[4-(naphthalen-2-ylmethoxy)phenyl]methanediyl}bis(3-phenylprop-2-enamide)
Smiles: O=C(NC(c1ccc(cc1)OCc1ccc2c(c1)cccc2)NC(=O)/C=C/c1ccccc1)/C=C/c1ccccc1
STK759138
Synonyms: 2-ethoxy-4-(morpholin-4-ylcarbonothioyl)phenyl(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
Smiles: CCOc1cc(ccc1OC(=O)/C=C/c1ccc(c(c1)OC)OC)C(=S)N1CCOCC1
STK759139
Synonyms: 2-(piperidin-1-ylcarbonothioyl)phenyl(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
Smiles: COc1ccc(cc1OC)/C=C/C(=O)Oc1ccccc1C(=S)N1CCCCC1
STK674824
Synonyms: 3-[(4-fluorophenyl)carbamoyl]-7-(propan-2-ylidene)bicyclo[2.2.1]hept-5-ene-2-carboxylicacid
Smiles: O=C(C1C2C=CC(C1C(=O)O)C2=C(C)C)Nc1ccc(cc1)F
STK674826
Synonyms: ethyl(2E)-2-(4-hydroxy-3-methoxybenzylidene)-5-(2-methoxynaphthalen-1-yl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Smiles: CCOC(=O)C1=C(C)N=c2n(C1c1c(OC)ccc3c1cccc3)c(=O)/c(=C\c1ccc(c(c1)OC)O)/s2
STK759151
Synonyms: N-ethyl-2-{(2E)-2-[(4-methoxyphenyl)imino]-3-methyl-4-oxo-1,3-thiazolidin-5-yl}acetamide
Smiles: CCNC(=O)CC1S/C(=N/c2ccc(cc2)OC)/N(C1=O)C
STK674829
Synonyms: 3-({[3-(2,3-dihydro-1H-indol-1-ylsulfonyl)phenyl]carbonyl}amino)benzoicacid
Smiles: O=C(c1cccc(c1)S(=O)(=O)N1CCc2c1cccc2)Nc1cccc(c1)C(=O)O
STK674831
Synonyms: 2-({[4-(piperidin-1-ylsulfonyl)thiophen-2-yl]carbonyl}amino)benzoicacid
Smiles: O=C(c1scc(c1)S(=O)(=O)N1CCCCC1)Nc1ccccc1C(=O)O
STK759160
Synonyms: 10-(2-fluorophenyl)pyrimido[4,5-b]quinoline-2,4(3H,10H)-dione
Smiles: O=c1[nH]c(=O)c2c(n1)n(c1ccccc1F)c1c(c2)cccc1
STK759164
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1-methyl-4-nitro-1H-pyrazol-3-yl)carbonyl]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide
Smiles: Cn1nc(c(c1)[N+](=O)[O-])C(=O)NNC(=O)c1nnn(c1c1ccccc1)c1nonc1N
STK674839
Synonyms: 2-[({3-[(3-acetylphenyl)sulfamoyl]phenyl}carbonyl)amino]benzoicacid
Smiles: O=C(c1cccc(c1)S(=O)(=O)Nc1cccc(c1)C(=O)C)Nc1ccccc1C(=O)O
STK674842
Synonyms: 3-({[3-(3,4-dihydroquinolin-1(2H)-ylsulfonyl)phenyl]carbonyl}amino)benzoicacid
Smiles: O=C(c1cccc(c1)S(=O)(=O)N1CCCc2c1cccc2)Nc1cccc(c1)C(=O)O
STK674850
Synonyms: 3-{[(3-carbamoyl-4-methylphenyl)sulfonyl]amino}benzoicacid
Smiles: OC(=O)c1cccc(c1)NS(=O)(=O)c1ccc(c(c1)C(=O)N)C
STK674851
Synonyms: 4-({[4-fluoro-3-(morpholin-4-ylsulfonyl)phenyl]carbonyl}amino)benzoicacid
Smiles: O=C(c1ccc(c(c1)S(=O)(=O)N1CCOCC1)F)Nc1ccc(cc1)C(=O)O
STK759188
Synonyms: 4-[(1-methyl-1H-tetrazol-5-yl)methyl]morpholine
Smiles: Cn1nnnc1CN1CCOCC1
STK674854
Synonyms: (2Z)-2-ammonio-4-oxo-4-(2,3,4,5-tetrafluoro-6-hydroxyphenyl)but-2-enoate
Smiles: [O-]C(=O)/C(=C/C(=O)c1c(O)c(F)c(c(c1F)F)F)/[NH3+]
STK759190
Synonyms: N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-cyclohexylphenyl)-1,3-thiazol-2-amine
Smiles: COc1cc(Cl)c(cc1Nc1scc(n1)c1ccc(cc1)C1CCCCC1)OC
STK759194
Synonyms: 3-[(4-fluorophenyl)sulfonyl]-1-(morpholin-4-yl)propan-1-one
Smiles: O=C(N1CCOCC1)CCS(=O)(=O)c1ccc(cc1)F
STK674855
Synonyms: 2-phenyl-3-(thiophen-2-yl)propanoicacid
Smiles: OC(=O)C(c1ccccc1)Cc1cccs1
STK759198
Synonyms: 2,5-dimethyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
Smiles: CN1CCc2c(C1)c1ccccc1n2C
STK759202
Synonyms: ethyl6-bromo-5-methoxy-1-phenyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate
Smiles: CCOC(=O)c1c2cc(OC)c(cc2n(c1CSc1ccccc1)c1ccccc1)Br
STK674858
Synonyms: 3,3'-piperazine-1,4-diylbis[N-(4-ethoxyphenyl)propanamide]
Smiles: CCOc1ccc(cc1)NC(=O)CCN1CCN(CC1)CCC(=O)Nc1ccc(cc1)OCC
STK759203
Synonyms: 3-(dimethylamino)-1-(4-hydroxyphenyl)propan-1-one
Smiles: CN(CCC(=O)c1ccc(cc1)O)C
STK759205
Synonyms: phenyl{5-[(E)-phenyldiazenyl]-1-benzofuran-2-yl}methanone
Smiles: O=C(c1cc2c(o1)ccc(c2)/N=N/c1ccccc1)c1ccccc1
STK674874
Synonyms: 2-[5-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)furan-2-yl]benzoicacid
Smiles: O=C1CC(C)(C)CC2=C1C(c1ccc(o1)c1ccccc1C(=O)O)C1=C(O2)CC(CC1=O)(C)C
STK674875
Synonyms: 7-{[3-(dimethylamino)propyl]amino}-1-methyl-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione
Smiles: CN(CCCNc1cc2oc3cccc(c3[nH]c2c2c1c(=O)c1ccccc1c2=O)C)C
STK674877
Synonyms: N,N-diethyl-4-[(2Z)-2-[(4-fluorophenyl)imino]-3-(3-hydroxypropyl)-2,3-dihydro-1,3-thiazol-4-yl]benzenesulfonamide
Smiles: OCCCn1/c(=N/c2ccc(cc2)F)/scc1c1ccc(cc1)S(=O)(=O)N(CC)CC
STK759243
Synonyms: 4-chloro-2-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]phenol
Smiles: Fc1ccc(cc1)c1[nH]nc(c1)c1cc(Cl)ccc1O
STK759250
Synonyms: N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanamide
Smiles: CCSc1nnc(s1)NC(=O)C(C(F)(F)F)(C(F)(F)F)C
STK759252
Synonyms: methyl({5-[(2-amino-2-oxoethyl)sulfanyl]-2-thioxo-1,3-dithiol-4-yl}sulfanyl)acetate
Smiles: COC(=O)CSc1sc(=S)sc1SCC(=O)N
STK759257
Synonyms: 11-cyano-N-(4-nitrophenyl)-9,10-dihydro-9,10-ethanoanthracene-11-carboxamide
Smiles: N#CC1(CC2c3c(C1c1c2cccc1)cccc3)C(=O)Nc1ccc(cc1)[N+](=O)[O-]
STK674884
Synonyms: ethyl{1-benzyl-3-[(4-methylpiperazin-1-yl)methyl]-1H-indol-2-yl}acetate
Smiles: CCOC(=O)Cc1c(CN2CCN(CC2)C)c2c(n1Cc1ccccc1)cccc2
STK759264
Synonyms: 4-methoxy-2-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]phenol
Smiles: COc1ccc(cc1)c1[nH]nc(c1)c1cc(OC)ccc1O
STK759266
Synonyms: propan-2-yl6-oxo-6H-anthra[1,9-cd][1,2]oxazole-3-carboxylate
Smiles: CC(OC(=O)c1ccc2c3c1noc3c1c(C2=O)cccc1)C
STK759269
Synonyms: 2'H-spiro[cycloheptane-1,3'-isoquinolin]-1'(4'H)-one
Smiles: O=C1NC2(CCCCCC2)Cc2c1cccc2
STK759272
Synonyms: (5Z)-2-(diphenylamino)-5-(5-methoxy-3-methyl-1,3-benzothiazol-2(3H)-ylidene)-1,3-thiazol-4(5H)-one
Smiles: COc1ccc2c(c1)n(C)/c(=C\1/SC(=NC1=O)N(c1ccccc1)c1ccccc1)/s2
STK759289
Synonyms: (4-{2-[4-(methylsulfanyl)phenyl]-5-phenyl-1H-imidazol-4-yl}phenyl)(phenyl)methanone
Smiles: CSc1ccc(cc1)c1nc(c([nH]1)c1ccccc1)c1ccc(cc1)C(=O)c1ccccc1
STK759292
Synonyms: 4-[4-(4-chlorophenyl)-5-phenyl-1H-imidazol-2-yl]benzoicacid
Smiles: Clc1ccc(cc1)c1nc([nH]c1c1ccccc1)c1ccc(cc1)C(=O)O
STK759303
Synonyms: ethyl(2-{hydroxy[bis(4-methylphenyl)]acetyl}-1-phenylhydrazinyl)(oxo)acetate
Smiles: CCOC(=O)C(=O)N(c1ccccc1)NC(=O)C(c1ccc(cc1)C)(c1ccc(cc1)C)O
STK759309
Synonyms: 4-[(E)-{[4-(diethylamino)phenyl]imino}methyl]-2-methoxyphenyl3-chloro-1-benzothiophene-2-carboxylate
Smiles: CCN(c1ccc(cc1)/N=C/c1ccc(c(c1)OC)OC(=O)c1sc2c(c1Cl)cccc2)CC
STK674893
Synonyms: 4-(1H-phenanthro[9,10-d]imidazol-2-yl)benzoicacid
Smiles: OC(=O)c1ccc(cc1)c1nc2c([nH]1)c1ccccc1c1c2cccc1
STK759323
Synonyms: 2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole
Smiles: c1ccc2c(c1)c(c[nH]2)c1nc2c([nH]1)c1ccccc1c1c2cccc1
STK759325
Synonyms: 2-(2,4-dimethoxyphenyl)-5-iodo-1H-phenanthro[9,10-d]imidazole
Smiles: COc1ccc(c(c1)OC)c1nc2c([nH]1)c1ccccc1c1c2cc(I)cc1
STK674896
Synonyms: 4-(4-{8-[2-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-5-yl]dibenzo[b,d]furan-2-yl}-5-phenyl-1H-imidazol-2-yl)phenol
Smiles: Oc1ccc(cc1)c1[nH]c(c(n1)c1ccccc1)c1ccc2c(c1)c1cc(ccc1o2)c1nc([nH]c1c1ccccc1)c1ccc(cc1)O
STK674899
Synonyms: 2-chloro-N'-{[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]carbonyl}-4-nitrobenzohydrazide
Smiles: ClC(=CC1C(C1(C)C)C(=O)NNC(=O)c1ccc(cc1Cl)[N+](=O)[O-])Cl
STK759340
Synonyms: 3-[(4-methylphenyl)amino]-5-phenyl-4-(phenylcarbonyl)-1-(pyridin-2-yl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: Cc1ccc(cc1)NC1=C(C(=O)c2ccccc2)C(N(C1=O)c1ccccn1)c1ccccc1
STK674900
Synonyms: 3-amino-4-(methylsulfonyl)-1,5-diphenyl-1,5-dihydro-2H-pyrrol-2-one
Smiles: O=C1N(c2ccccc2)C(C(=C1N)S(=O)(=O)C)c1ccccc1
STK674903
Synonyms: 2-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-3-[3-(trifluoromethyl)phenyl]-4a,8a-dihydroquinazolin-4(3H)-one
Smiles: O=C1C2C=CC=CC2N=C(N1c1cccc(c1)C(F)(F)F)CSc1nnnn1c1ccccc1
STK674905
Synonyms: 1-(2,5-diphenyl-1,3-oxazol-4-yl)-5-methyl-4-(piperidin-1-yl)pyrimidin-2(1H)-one
Smiles: Cc1cn(c(=O)nc1N1CCCCC1)c1nc(oc1c1ccccc1)c1ccccc1
STK759353
Synonyms: propan-2-yl4-[4-(difluoromethoxy)-3-methoxyphenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Smiles: COc1cc(ccc1OC(F)F)C1NC(=O)NC(=C1C(=O)OC(C)C)C
STK759356
Synonyms: N-(4-fluorophenyl)-2-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide
Smiles: O=C(Nc1ccc(cc1)F)CSc1nc2c(n1C)c(=O)n(c(=O)n2C)C
STK759374
Synonyms: ethyl1-[4-(acetylamino)-1,2,5-oxadiazol-3-yl]-5-methyl-1H-1,2,3-triazole-4-carboxylate
Smiles: CCOC(=O)c1nnn(c1C)c1nonc1NC(=O)C
STK674919
Synonyms: propan-2-yl1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(diethylamino)methyl]-1H-1,2,3-triazole-4-carboxylate
Smiles: CCN(Cc1c(nnn1c1nonc1N)C(=O)OC(C)C)CC
STK674920
Synonyms: propan-2-yl1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(piperidin-1-ylmethyl)-1H-1,2,3-triazole-4-carboxylate
Smiles: CC(OC(=O)c1nnn(c1CN1CCCCC1)c1nonc1N)C
STK674921
Synonyms: propan-2-yl1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(pyrrolidin-1-ylmethyl)-1H-1,2,3-triazole-4-carboxylate
Smiles: CC(OC(=O)c1nnn(c1CN1CCCC1)c1nonc1N)C
STK759377
Synonyms: 2,6-dimethoxy-4-(morpholin-4-ylcarbonothioyl)phenyl3-phenylpropanoate
Smiles: COc1cc(cc(c1OC(=O)CCc1ccccc1)OC)C(=S)N1CCOCC1
STK759382
Synonyms: N-[(2Z)-4-(3,4-dimethylphenyl)-3-(2-phenylethyl)-1,3-thiazol-2(3H)-ylidene]-3-(trifluoromethyl)aniline
Smiles: Cc1cc(ccc1C)c1cs/c(=N\c2cccc(c2)C(F)(F)F)/n1CCc1ccccc1
STK759383
Synonyms: [1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-nitrophenyl)-1H-1,2,3-triazol-4-yl](piperidin-1-yl)methanone
Smiles: O=C(c1nnn(c1c1ccc(cc1)[N+](=O)[O-])c1nonc1N)N1CCCCC1
STK759387
Synonyms: 1-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-ylN,N'-dimethylcarbamimidothioate
Smiles: CN/C(=N\C)/SC1CC(=O)N(C1=O)c1ccccc1F
STK674929
Synonyms: 5,6-dimethoxy-3-(trichloromethyl)-2-benzofuran-1(3H)-one
Smiles: COc1cc2c(cc1OC)C(=O)OC2C(Cl)(Cl)Cl
STK759393
Synonyms: 2-fluoro-N-(1-methyl-1H-tetrazol-5-yl)benzamide
Smiles: O=C(c1ccccc1F)Nc1nnnn1C
STK759398
Synonyms: 8',9'-dimethoxy-10b'-methyl-6',10b'-dihydro-5'H-spiro[cyclohexane-1,1'-[1,3]oxazolo[4,3-a]isoquinolin]-3'-one
Smiles: COc1cc2c(cc1OC)CCN1C2(C)C2(CCCCC2)OC1=O
STK759399
Synonyms: 1-ethyl-8,9-dimethoxy-1,10b-dimethyl-1,5,6,10b-tetrahydro[1,3]oxazolo[4,3-a]isoquinolin-3-one
Smiles: CCC1(C)OC(=O)N2C1(C)c1cc(OC)c(cc1CC2)OC
STK759400
Synonyms: 4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-en-1-yl)-3-(4H-1,2,4-triazol-4-yl)-1,3-oxazolidin-2-one
Smiles: CC(=CCCC1(C)OC(=O)N(C1(C)O)n1cnnc1)C
STK759406
Synonyms: 4-methoxy-N-(pyridin-3-ylmethyl)-6-(thiomorpholin-4-yl)-1,3,5-triazin-2-amine
Smiles: COc1nc(NCc2cccnc2)nc(n1)N1CCSCC1
STK674936
Synonyms: 1,1'-di-tert-butyl-3,3'-bidiaziridine
Smiles: CC(N1NC1C1NN1C(C)(C)C)(C)C
STK759411
Synonyms: 4-(2-fluoro-4-{(1E)-1-[2-(4-fluorophenyl)hydrazinylidene]ethyl}phenyl)morpholine
Smiles: Fc1ccc(cc1)N/N=C(/c1ccc(c(c1)F)N1CCOCC1)\C
STK759413
Synonyms: N,N-dicyclohexyl-3,4-difluorobenzamide
Smiles: O=C(N(C1CCCCC1)C1CCCCC1)c1ccc(c(c1)F)F
STK759416
Synonyms: 1-(4-{4-[(2,6-difluorophenyl)carbonyl]piperazin-1-yl}-5-fluoro-2-methylphenyl)ethanone
Smiles: Fc1cc(C(=O)C)c(cc1N1CCN(CC1)C(=O)c1c(F)cccc1F)C
STK759423
Synonyms: (1S,2S,5R)-2-{3-[(3,4-dimethylphenoxy)methyl]-4-methyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}-6,8-dioxabicyclo[3.2.1]octan-4-one(non-preferredname)
Smiles: O=C1C[C@@H]([C@@H]2O[C@H]1OC2)n1nc(n(c1=S)C)COc1ccc(c(c1)C)C
STK759424
Synonyms: (1S,2S,5R)-2-(3-benzyl-4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one(non-preferredname)
Smiles: O=C1C[C@@H]([C@@H]2O[C@H]1OC2)n1nc(n(c1=S)c1ccccc1)Cc1ccccc1
STK674938
Synonyms: 2-[(1S,2S,5R)-4-oxo-6,8-dioxabicyclo[3.2.1]oct-2-yl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione(non-preferredname)
Smiles: O=C1C[C@@H]([C@@H]2O[C@H]1OC2)N1C(=O)C2C(C1=O)CC=CC2
STK674939
Synonyms: 2-(dodecylsulfinyl)-1-phenylethanol
Smiles: CCCCCCCCCCCCS(=O)CC(c1ccccc1)O
STK674940
Synonyms: 2-(dodecylsulfonyl)-1-phenylethanol
Smiles: CCCCCCCCCCCCS(=O)(=O)CC(c1ccccc1)O
STK759432
Synonyms: 2-[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]-N-(5-bromopyridin-2-yl)acetamide
Smiles: O=C(Nc1ccc(cn1)Br)CSc1nnc2n1ncn2N
STK674944
Synonyms: 2-[(5-ethyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
Smiles: CCC1C(=O)NC(=NC1=O)SCC(=O)NCc1ccco1
STK759443
Synonyms: azepan-1-yl[3-bromo-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
Smiles: O=C(c1nn2c(c1Br)nc(cc2C(F)(F)F)c1ccco1)N1CCCCCC1
STK759449
Synonyms: 3-bromo-5-(furan-2-yl)-N-[2-(morpholin-4-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Smiles: O=C(c1nn2c(c1Br)nc(cc2C(F)(F)F)c1ccco1)NCCN1CCOCC1
STK759450
Synonyms: [3-bromo-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl](piperidin-1-yl)methanone
Smiles: O=C(c1nn2c(c1Br)nc(cc2C(F)(F)F)c1ccco1)N1CCCCC1
STK674951
Synonyms: ethyl5-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]methyl}-2-oxo-2,3-dihydro-1H-imidazole-4-carboxylate
Smiles: CCOC(=O)c1[nH]c(=O)[nH]c1CSc1nc(C)cc(=O)[nH]1
STK759453
Synonyms: 2-{[3-cyano-4-(2-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-phenylacetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccccc2)NC(=O)CC1c1ccccc1C
STK759455
Synonyms: 3-amino-2-[(4-methoxyphenyl)carbonyl]-4,6-dimethyl-N-phenylthieno[2,3-b]pyridine-5-carboxamide
Smiles: COc1ccc(cc1)C(=O)c1sc2c(c1N)c(C)c(c(n2)C)C(=O)Nc1ccccc1
STK759460
Synonyms: diethyl7-ethyl-3-methyl-4-oxo-4,7-dihydrothieno[2,3-b]pyridine-2,5-dicarboxylate
Smiles: CCOC(=O)c1sc2c(c1C)c(=O)c(cn2CC)C(=O)OCC
STK759461
Synonyms: N-{2-[(1,3-benzodioxol-5-ylmethyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}pyridine-3-carboxamide
Smiles: O=C(c1cccnc1)NC(C(F)(F)F)(C(F)(F)F)NCc1ccc2c(c1)OCO2
STK759464
Synonyms: [(4aS,8aR)-4-hydroxy-4-phenyloctahydroquinolin-1(2H)-yl](phenyl)methanone
Smiles: O=C(N1CCC([C@@H]2[C@H]1CCCC2)(O)c1ccccc1)c1ccccc1
STK759471
Synonyms: (2E)-[4-(4-chlorophenyl)-1,3-thiazol-2-yl][2-(4-methylphenyl)hydrazinylidene]ethanenitrile
Smiles: N#C/C(=N\Nc1ccc(cc1)C)/c1scc(n1)c1ccc(cc1)Cl
STK759478
Synonyms: 6-amino-4-(2-fluorophenyl)-3-(trifluoromethyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccccc1F)c(n[nH]2)C(F)(F)F
STK674959
Synonyms: 6-amino-4-(thiophen-2-yl)-3-(trifluoromethyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1cccs1)c(n[nH]2)C(F)(F)F
STK759483
Synonyms: 6-amino-4-(2-chlorophenyl)-3-(trifluoromethyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccccc1Cl)c(n[nH]2)C(F)(F)F
STK759486
Synonyms: prop-2-en-1-yl6-amino-5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-4H-pyran-3-carboxylate
Smiles: C=CCOC(=O)C1=C(C)OC(=C(C1c1ccc(c(c1)OC)OC)C#N)N
STK759495
Synonyms: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-cyanophenyl)butanamide
Smiles: CCC(C(=O)Nc1ccccc1C#N)Sc1nc2c(o1)cccc2
STK759496
Synonyms: 3-(4-chlorophenyl)-4-methylidene-1-oxa-3-azaspiro[4.5]decan-2-one
Smiles: Clc1ccc(cc1)N1C(=O)OC2(C1=C)CCCCC2
STK759497
Synonyms: 3,4,5-trimethyl-1H-pyrrole-2-carbaldehyde
Smiles: O=Cc1[nH]c(c(c1C)C)C
STK674965
Synonyms: 4,5-dimethyl-1H-pyrrole-2-carbaldehyde
Smiles: O=Cc1[nH]c(c(c1)C)C
STK674966
Synonyms: 3,4-dimethyl-1H-pyrrole-2-carbaldehyde
Smiles: O=Cc1[nH]cc(c1C)C
STK759498
Synonyms: ethyl4-[(Z)-1,2-dibromoethenyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c(c(c1C)/C(=C/Br)/Br)C
STK759500
Synonyms: 4-benzyl2-ethyl3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
Smiles: CCOC(=O)c1[nH]c(c(c1C)C(=O)OCc1ccccc1)C
STK759502
Synonyms: 3,5-dimethyl-1H-pyrrole-2-carbaldehyde
Smiles: O=Cc1[nH]c(cc1C)C
STK759504
Synonyms: (2S,5R)-2-(4-methyl-3-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one(non-preferredname)
Smiles: O=C1C[C@H](C2O[C@H]1OC2)n1nc(n(c1=S)C)c1ccccc1
STK674973
Synonyms: 2-(4-bromophenyl)-4,6-dinitro-1,2-benzothiazol-3(2H)-one
Smiles: Brc1ccc(cc1)n1sc2c(c1=O)c(cc(c2)[N+](=O)[O-])[N+](=O)[O-]
STK674974
Synonyms: 2-amino-4,6-dinitrobenzoicacid
Smiles: [O-][N+](=O)c1cc(cc(c1C(=O)O)N)[N+](=O)[O-]
STK759510
Synonyms: N-(1-acetyl-2-methyl-1H-imidazol-4-yl)acetamide
Smiles: CC(=O)Nc1nc(n(c1)C(=O)C)C
STK759514
Synonyms: 2-bromo-6-methoxy-4-[(1E)-2-nitroprop-1-en-1-yl]phenol
Smiles: COc1cc(/C=C(/[N+](=O)[O-])\C)cc(c1O)Br
STK759516
Synonyms: 1-(3-ethoxyphenyl)-2,5-dioxopyrrolidin-3-ylN'-acetylcarbamohydrazonothioate
Smiles: CCOc1cccc(c1)N1C(=O)CC(C1=O)S/C(=N/NC(=O)C)/N
STK759517
Synonyms: 4-[(3,4-dichlorobenzyl)amino]-1-oxaspiro[4.5]dec-3-en-2-one
Smiles: O=C1C=C(C2(O1)CCCCC2)NCc1ccc(c(c1)Cl)Cl
STK674982
Synonyms: 1,1'-(ethane-1,2-diyldibenzene-4,1-diyl)dioctan-1-one
Smiles: CCCCCCCC(=O)c1ccc(cc1)CCc1ccc(cc1)C(=O)CCCCCCC
STK674983
Synonyms: N,N'-[(4-hydroxy-3-nitrophenyl)methanediyl]dibenzamide
Smiles: O=C(c1ccccc1)NC(c1ccc(c(c1)[N+](=O)[O-])O)NC(=O)c1ccccc1
STK759524
Synonyms: 2,6-dibromo-4-(morpholin-4-ylcarbonothioyl)phenyl4-methoxybenzoate
Smiles: COc1ccc(cc1)C(=O)Oc1c(Br)cc(cc1Br)C(=S)N1CCOCC1
STK759534
Synonyms: ethyl5-(2,4-dimethylphenyl)-4,6-dioxo-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Smiles: CCOC(=O)c1[nH]nc2c1c(=O)n(c2=O)c1ccc(cc1C)C
STK759538
Synonyms: [1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazol-4-yl](piperidin-1-yl)methanone
Smiles: O=C(c1nnn(c1C)c1nonc1N)N1CCCCC1
STK674991
Synonyms: 7-methyl-2-(2-methylphenyl)-5-[1-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-3a,4,5,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Smiles: O=C1CC(C(=O)N1c1ccccc1C)C1C=C(C)C2C(C1)C(=O)N(C2=O)c1ccccc1C
STK759542
Synonyms: N-[(E)-(4-chlorophenyl)methylidene]-2-[(2,4-dimethylbenzyl)sulfanyl]-1,3-benzothiazol-6-amine
Smiles: Clc1ccc(cc1)/C=N/c1ccc2c(c1)sc(n2)SCc1ccc(cc1C)C
STK759548
Synonyms: 4-(4-cyclohexylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
Smiles: FC(c1cccc(c1)Nc1scc(n1)c1ccc(cc1)C1CCCCC1)(F)F
STK759551
Synonyms: N-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)-2-methoxybenzamide
Smiles: COc1ccccc1C(=O)NN1C(=O)C2C(C1=O)C1C=CC2C2C1C2
STK675000
Synonyms: propan-2-yl1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(azepan-1-ylmethyl)-1H-1,2,3-triazole-4-carboxylate
Smiles: CC(OC(=O)c1nnn(c1CN1CCCCCC1)c1nonc1N)C
STK759566
Synonyms: 4-(cyclopropylamino)-1-oxaspiro[4.5]dec-3-en-2-one
Smiles: O=C1C=C(C2(O1)CCCCC2)NC1CC1
STK759568
Synonyms: 3-benzyl-7-{[(2Z)-2-(hydroxyimino)-2-(4-methylphenyl)ethyl]oxy}-4-methyl-2H-chromen-2-one
Smiles: O/N=C(/c1ccc(cc1)C)\COc1ccc2c(c1)oc(=O)c(c2C)Cc1ccccc1
STK759571
Synonyms: (2E,2'E)-N,N'-[(3,4-dimethoxyphenyl)methanediyl]bis(3-phenylprop-2-enamide)
Smiles: COc1cc(ccc1OC)C(NC(=O)/C=C/c1ccccc1)NC(=O)/C=C/c1ccccc1
STK675008
Synonyms: N,N'-[(3-methoxyphenyl)methanediyl]bis(2-chloroacetamide)
Smiles: ClCC(=O)NC(c1cccc(c1)OC)NC(=O)CCl
STK759572
Synonyms: N,N'-[(3,4-dimethoxyphenyl)methanediyl]bis(3-phenylpropanamide)
Smiles: COc1cc(ccc1OC)C(NC(=O)CCc1ccccc1)NC(=O)CCc1ccccc1
STK759573
Synonyms: ethyl3,3,3-trifluoro-N-(2-fluorophenyl)-2-(propanoylamino)alaninate
Smiles: CCOC(=O)C(C(F)(F)F)(Nc1ccccc1F)NC(=O)CC
STK759574
Synonyms: 1-(2,6-dichlorobenzyl)-5'-phenyl-3'H-spiro[indole-3,2'-[1,3,4]thiadiazol]-2(1H)-one
Smiles: Clc1cccc(c1CN1c2ccccc2C2(C1=O)NN=C(S2)c1ccccc1)Cl
STK759575
Synonyms: (5E)-5-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
Smiles: O=C1S/C(=C/c2cc(n(c2C)c2ccccc2)C)/C(=O)N1C
STK759578
Synonyms: 5-(1H-imidazol-1-yl)-1-phenyl-1H-tetrazole
Smiles: c1ccc(cc1)n1nnnc1n1cncc1
STK759581
Synonyms: 5-(4-fluorophenyl)-3-hydroxy-4-[(4-methylphenyl)carbonyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: Cc1ccc(cc1)C(=O)C1=C(O)C(=O)NC1c1ccc(cc1)F
STK759582
Synonyms: N''-{(E)-[4-(morpholin-4-yl)-3-nitrophenyl]methylidene}carbonohydrazonicdiamide
Smiles: NC(=N/N=C/c1ccc(c(c1)[N+](=O)[O-])N1CCOCC1)N
STK759583
Synonyms: N-(1,3-benzodioxol-5-yl)-4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine
Smiles: CC(Cc1ccc(cc1)c1csc(n1)Nc1ccc2c(c1)OCO2)C
STK759584
Synonyms: N'-[2,6-di(morpholin-4-yl)pyrimidin-4-yl]acetohydrazide
Smiles: CC(=O)NNc1cc(nc(n1)N1CCOCC1)N1CCOCC1
STK759589
Synonyms: 7-amino-4,8-dimethylquinolin-2(1H)-one
Smiles: Nc1ccc2c(c1C)[nH]c(=O)cc2C
STK759598
Synonyms: 3',5'-di-tert-butyl-2-phenyl-4H,4'H-spiro[1,4-benzoxazine-3,1'-cyclohexa[2,5]dien]-4'-one
Smiles: O=C1C(=CC2(C=C1C(C)(C)C)Nc1ccccc1OC2c1ccccc1)C(C)(C)C
STK759615
Synonyms: dimethyl(3-bromo-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl)propanedioate
Smiles: COC(=O)C(c1cc(Br)c2c3c1C(=O)c1ccccc1c3on2)C(=O)OC
STK675032
Synonyms: 8,9-dihydro-7H-[1,3]thiazino[2,3-i]purine
Smiles: C1CCn2c(S1)c1ncnc1nc2
STK759626
Synonyms: 4-acetyl-5-(4-fluorophenyl)-3-hydroxy-1-(2-phenylethyl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: Fc1ccc(cc1)C1N(CCc2ccccc2)C(=O)C(=C1C(=O)C)O
STK759629
Synonyms: dimethyl4-hydroxy-4-methyl-6-oxo-2-[4-(propan-2-yl)phenyl]cyclohexane-1,3-dicarboxylate
Smiles: COC(=O)C1C(=O)CC(C(C1c1ccc(cc1)C(C)C)C(=O)OC)(C)O
STK759647
Synonyms: N-(4-methoxyphenyl)-2-oxo-8-(prop-2-en-1-yl)-2H-chromene-3-carboxamide
Smiles: C=CCc1cccc2c1oc(=O)c(c2)C(=O)Nc1ccc(cc1)OC
STK675038
Synonyms: 6-amino-2-(dicyanomethylidene)-4-(2-iodophenyl)-1,2-dihydropyridine-3,5-dicarbonitrile
Smiles: N#CC(=c1[nH]c(N)c(c(c1C#N)c1ccccc1I)C#N)C#N
STK675040
Synonyms: 2-(7-methoxy-1H-indol-3-yl)ethanamine
Smiles: NCCc1c[nH]c2c1cccc2OC
STK759651
Synonyms: 2-(3,4-dimethoxyphenyl)-1H-phenanthro[9,10-d]imidazole
Smiles: COc1cc(ccc1OC)c1nc2c([nH]1)c1ccccc1c1c2cccc1
STK759652
Synonyms: ethyl4-[4-(benzyloxy)phenyl]-6-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Smiles: CCOC(=O)C1=C(NC(=S)NC1c1ccc(cc1)OCc1ccccc1)c1ccccc1
STK675042
Synonyms: propan-2-yl4-(cyclopropylamino)-4-oxobutanoate
Smiles: CC(OC(=O)CCC(=O)NC1CC1)C
STK675044
Synonyms: 5-methyl-1-(2-methylpropyl)pyrimidine-2,4(1H,3H)-dione
Smiles: CC(Cn1cc(C)c(=O)[nH]c1=O)C
STK759661
Synonyms: di-tert-butyl(6-chloropyridazin-3-yl)propanedioate
Smiles: O=C(C(c1ccc(nn1)Cl)C(=O)OC(C)(C)C)OC(C)(C)C
STK675047
Synonyms: 3,6-dichloro-4-[4-(3-chlorophenyl)piperazin-1-yl]pyridazine
Smiles: Clc1cccc(c1)N1CCN(CC1)c1cc(Cl)nnc1Cl
STK759662
Synonyms: 6-[4-(3-chlorophenyl)piperazin-1-yl]-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine
Smiles: Clc1cccc(c1)N1CCN(CC1)c1ccc2n(n1)c(nn2)C(F)(F)F
STK759663
Synonyms: 6-(4-benzylpiperazin-1-yl)-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine
Smiles: FC(c1nnc2n1nc(cc2)N1CCN(CC1)Cc1ccccc1)(F)F
STK759674
Synonyms: 1-benzyl-5-methoxy-2-methyl-1H-indole-3-carboxylicacid
Smiles: COc1ccc2c(c1)c(C(=O)O)c(n2Cc1ccccc1)C
STK675056
Synonyms: ethyl6-bromo-2-({[2-(diethylamino)ethyl]amino}methyl)-5-hydroxy-1-methyl-1H-indole-3-carboxylate
Smiles: CCOC(=O)c1c2cc(O)c(cc2n(c1CNCCN(CC)CC)C)Br
STK759677
Synonyms: ethyl5-(acetyloxy)-6-bromo-1-butyl-2-methyl-1H-indole-3-carboxylate
Smiles: CCCCn1c(C)c(c2c1cc(Br)c(c2)OC(=O)C)C(=O)OCC
STK759678
Synonyms: N-(4-methylphenyl)-2-[3-(phenylsulfanyl)-1H-indol-2-yl]acetamide
Smiles: Cc1ccc(cc1)NC(=O)Cc1[nH]c2c(c1Sc1ccccc1)cccc2
STK759684
Synonyms: N-(2,4-dimethylphenyl)-7-phenylbicyclo[3.1.1]heptane-6-carboxamide
Smiles: O=C(C1C2CCCC1C2c1ccccc1)Nc1ccc(cc1C)C
STK675071
Synonyms: 3-[(4-fluorophenyl)carbonyl]-1,2-bis(propylsulfonyl)indolizine-8-carboxamide
Smiles: CCCS(=O)(=O)c1c(C(=O)c2ccc(cc2)F)n2c(c1S(=O)(=O)CCC)c(ccc2)C(=O)N
STK675085
Synonyms: 3-methoxy-3-(nitromethyl)-2-benzofuran-1(3H)-one
Smiles: COC1(C[N+](=O)[O-])OC(=O)c2c1cccc2
STK759700
Synonyms: (4E)-4-{[(furan-2-ylcarbonyl)oxy]imino}-2,5-dimethylcyclohexa-2,5-dien-1-one
Smiles: CC1=CC(=O)C(=C/C/1=N\OC(=O)c1ccco1)C
STK759705
Synonyms: 3,3'-ethane-1,2-diylbis(4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one)
Smiles: O=C1OC2(C(N1CCN1C(=O)OC3(C1(C)O)CCCCC3)(C)O)CCCCC2
STK675088
Synonyms: 2-[3a,6a-dimethyl-2-oxo-4-(prop-1-en-2-yl)tetrahydro-2H-cyclopenta[d][1,3]oxazol-3(3aH)-yl]ethylformate
Smiles: O=COCCN1C(=O)OC2(C1(C)C(CC2)C(=C)C)C
STK759707
Synonyms: 3-bromo-N-tert-butyl-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Smiles: O=C(c1nn2c(c1Br)nc(cc2C(F)(F)F)c1ccco1)NC(C)(C)C
STK759708
Synonyms: 2-methyl-1-(phenylcarbonyl)piperidin-4-one
Smiles: O=C1CCN(C(C1)C)C(=O)c1ccccc1
STK759710
Synonyms: methyl4-(3-{[N'-(3-chloro-4-methylphenyl)-N-ethylcarbamimidoyl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)benzoate
Smiles: CCN/C(=N\c1ccc(c(c1)Cl)C)/SC1CC(=O)N(C1=O)c1ccc(cc1)C(=O)OC
STK759711
Synonyms: 2-amino-5-(1H-benzotriazol-1-yl)-6-methyl-4-phenyl-4H-pyran-3-carbonitrile
Smiles: N#CC1=C(N)OC(=C(C1c1ccccc1)n1nnc2c1cccc2)C
STK675089
Synonyms: 4-nitro-1,2-dihydro-3H-pyrazol-3-one
Smiles: [O-][N+](=O)c1c[nH][nH]c1=O
STK675092
Synonyms: 4-hydroxy-4,4-diphenylbut-2-ynoicacid
Smiles: OC(=O)C#CC(c1ccccc1)(c1ccccc1)O
STK675093
Synonyms: 4-amino-5-chloro-2-methoxybenzoicacid
Smiles: COc1cc(N)c(cc1C(=O)O)Cl
STK759719
Synonyms: 2-chloro-N-[5-({2-[(3,5-dibromopyridin-2-yl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
Smiles: ClCC(=O)Nc1nnc(s1)SCC(=O)Nc1ncc(cc1Br)Br
STK759720
Synonyms: 4-hydroxy-4-methyl-3-(prop-2-en-1-yl)-1-oxa-3-azaspiro[4.5]decan-2-one
Smiles: C=CCN1C(=O)OC2(C1(C)O)CCCCC2
STK759722
Synonyms: 5-nitro-6-(piperidin-1-yl)pyrimidin-4-amine
Smiles: Nc1ncnc(c1[N+](=O)[O-])N1CCCCC1
STK759723
Synonyms: 5-methyl-1-phenyl-4,5,6,7-tetrahydro-1H-[1,2,3]triazolo[4,5-c]pyridine
Smiles: CN1CCc2c(C1)nnn2c1ccccc1
STK675104
Synonyms: diethyl5,5'-[quinoxaline-2,3-diylbis(sulfanediylmethanediyl)]bis[1-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,3-triazole-4-carboxylate]
Smiles: CCOC(=O)c1nnn(c1CSc1nc2ccccc2nc1SCc1c(nnn1c1nonc1N)C(=O)OCC)c1nonc1N
STK759732
Synonyms: 6-chloro-N-(3-methylphenyl)[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine
Smiles: Cc1cccc(c1)Nc1nc2nonc2nc1Cl
STK675105
Synonyms: N-(5-chloropyridin-2-yl)-2-[(4,6-dioxo-5-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]acetamide
Smiles: O=C(Nc1ccc(cn1)Cl)CSC1=NC(=O)C(C(=O)N1)c1ccccc1
STK675110
Synonyms: 2-chloro-5-[(4E)-4-{[5-(2-chlorophenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoicacid
Smiles: CC1=NN(C(=O)/C/1=C/c1ccc(o1)c1ccccc1Cl)c1ccc(c(c1)C(=O)O)Cl
STK675111
Synonyms: 2-chloro-5-{(4E)-4-[(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoicacid
Smiles: COc1cc(/C=C/2\C(=NN(C2=O)c2ccc(c(c2)C(=O)O)Cl)C)cc2c1oc(=O)s2
STK759743
Synonyms: ethyl{10-[3-(morpholin-4-yl)propanoyl]-10H-phenothiazin-3-yl}carbamate
Smiles: CCOC(=O)Nc1ccc2c(c1)Sc1c(N2C(=O)CCN2CCOCC2)cccc1
STK759750
Synonyms: [4-(6-amino-9H-purin-8-yl)piperazin-1-yl](phenyl)methanone
Smiles: O=C(c1ccccc1)N1CCN(CC1)c1[nH]c2c(n1)c(N)ncn2
STK759757
Synonyms: 4-(3-amino-7-methylimidazo[1,2-a]pyridin-2-yl)-2-methoxyphenol
Smiles: COc1cc(ccc1O)c1nc2n(c1N)ccc(c2)C
STK759760
Synonyms: 1-(4-fluorophenyl)-4-methylpent-2-yne-1,4-diol
Smiles: OC(c1ccc(cc1)F)C#CC(O)(C)C
STK759761
Synonyms: 1-(5-methylfuran-2-yl)-3-(tricyclo[3.3.1.1~3,7~]dec-1-yl)prop-2-yn-1-ol
Smiles: OC(c1ccc(o1)C)C#CC12CC3CC(C2)CC(C1)C3
STK675123
Synonyms: 3-(tricyclo[3.3.1.1~3,7~]dec-1-yl)prop-2-ynoicacid
Smiles: OC(=O)C#CC12CC3CC(C2)CC(C1)C3
STK759762
Synonyms: 4-(4-fluorophenyl)-1,1-diphenylbut-2-yne-1,4-diol
Smiles: Fc1ccc(cc1)C(C#CC(c1ccccc1)(c1ccccc1)O)O
STK759763
Synonyms: 1-(2-fluorophenyl)-4-methylpent-2-yne-1,4-diol
Smiles: Fc1ccccc1C(C#CC(O)(C)C)O
STK759764
Synonyms: 1-(3,4-dihydroquinolin-1(2H)-yl)-2-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanone
Smiles: CCCn1c2ccccc2c2c1nc(SCC(=O)N1CCCc3c1cccc3)nn2
STK675124
Synonyms: (7E)-N-butoxy[1,2,5]oxadiazolo[3,4-d]pyrimidin-7(6H)-imine
Smiles: CCCCO/N=c\1/[nH]cnc2c1non2
STK675125
Synonyms: 4-azido-3-methoxy-6-nitro-1,2-benzothiazole
Smiles: [N-]=[N+]=Nc1cc(cc2c1c(OC)ns2)[N+](=O)[O-]
STK759770
Synonyms: methyl4-acetyl-6-phenyl-3,4-dihydro-2H-1,4-thiazine-5-carboxylate1,1-dioxide
Smiles: COC(=O)C1=C(c2ccccc2)S(=O)(=O)CCN1C(=O)C
STK759773
Synonyms: dimethylspiro[1,3-dioxolane-2,9'-fluorene]-4,5-dicarboxylate
Smiles: COC(=O)C1OC2(OC1C(=O)OC)c1ccccc1c1c2cccc1
STK759783
Synonyms: 5-fluoro-1-(prop-2-en-1-yl)pyrimidine-2,4(1H,3H)-dione
Smiles: Fc1cn(CC=C)c(=O)[nH]c1=O
STK759784
Synonyms: diethyl6-hydroxy-6-methyl-2-phenyl-4-(phenylamino)cyclohex-3-ene-1,3-dicarboxylate
Smiles: CCOC(=O)C1=C(Nc2ccccc2)CC(C(C1c1ccccc1)C(=O)OCC)(C)O
STK675135
Synonyms: (2Z,5Z)-3-hydroxy-1-phenyl-5-(2'H-spiro[cyclohexane-1,3'-isoquinolin]-1'(4'H)-ylidene)pent-2-ene-1,4-dione
Smiles: O=C(/C(=C/C(=O)c1ccccc1)/O)/C=C/1\NC2(CCCCC2)Cc2c1cccc2
STK675136
Synonyms: (2E)-2-(furan-2-ylmethylidene)hydrazinecarboximidamide
Smiles: NC(=N)N/N=C/c1ccco1
STK759789
Synonyms: diethyl6-hydroxy-2-(4-methoxyphenyl)-6-methyl-4-(phenylamino)cyclohex-3-ene-1,3-dicarboxylate
Smiles: CCOC(=O)C1=C(CC(C(C1c1ccc(cc1)OC)C(=O)OCC)(C)O)Nc1ccccc1
STK675141
Synonyms: N-[(2Z)-4-(4-bromophenyl)-3-(4-chlorobenzyl)-1,3-thiazol-2(3H)-ylidene]-3-(trifluoromethyl)aniline
Smiles: Clc1ccc(cc1)Cn1/c(=N/c2cccc(c2)C(F)(F)F)/scc1c1ccc(cc1)Br
STK759796
Synonyms: 6-(1H-benzotriazol-1-yl)-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine
Smiles: FC(c1nnc2n1nc(cc2)n1nnc2c1cccc2)(F)F
STK759799
Synonyms: diethyl5,5'-[1,3,4-thiadiazole-2,5-diylbis(sulfanediylmethanediyl)]bis(2-oxo-2,3-dihydro-1H-imidazole-4-carboxylate)
Smiles: CCOC(=O)c1[nH]c(=O)[nH]c1CSc1nnc(s1)SCc1[nH]c(=O)[nH]c1C(=O)OCC
STK759805
Synonyms: N-[(2Z)-4-(naphthalen-2-yl)-3-propyl-1,3-thiazol-2(3H)-ylidene]-3-(trifluoromethyl)aniline
Smiles: CCCn1/c(=N/c2cccc(c2)C(F)(F)F)/scc1c1ccc2c(c1)cccc2
STK675149
Synonyms: 2-chloro-5-{(4Z)-4-[4-(diethylamino)benzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoicacid
Smiles: CCN(c1ccc(cc1)/C=C\1/C(=NN(C1=O)c1ccc(c(c1)C(=O)O)Cl)C)CC
STK759807
Synonyms: N'-[2,6-di(piperidin-1-yl)pyrimidin-4-yl]benzohydrazide
Smiles: O=C(c1ccccc1)NNc1cc(nc(n1)N1CCCCC1)N1CCCCC1
STK759813
Synonyms: 5-(4-methylbenzylidene)-1,3-diphenylpyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: Cc1ccc(cc1)/C=C/1\C(=O)N(c2ccccc2)C(=O)N(C1=O)c1ccccc1
STK759815
Synonyms: 4-{(Z)-[1-(3-bromophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-2-methoxyphenylpropanoate
Smiles: CCC(=O)Oc1ccc(cc1OC)/C=C\1/C(=NN(C1=O)c1cccc(c1)Br)C
STK675151
Synonyms: 1-[({(Z)-(4-amino-1,2,5-oxadiazol-3-yl)[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]methylidene}amino)oxy]ethanone
Smiles: CC(=O)O/N=C(/c1nonc1N)\N1CCN(CC1)c1ccc(cc1Cl)[N+](=O)[O-]
STK759824
Synonyms: 3-(4-chlorophenyl)-1-(4-methylphenyl)-1H-pyrazol-5-amine
Smiles: Cc1ccc(cc1)n1nc(cc1N)c1ccc(cc1)Cl
STK759835
Synonyms: (2Z)-2-(2,5-dimethoxybenzylidene)-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3(2H)-one
Smiles: COc1ccc(c(c1)/C=c/1\sc2n(c1=O)c(c(n2)c1ccccc1)c1ccccc1)OC
STK759836
Synonyms: 4-[(E)-2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-6-(trifluoromethyl)pyrimidin-2(1H)-one
Smiles: COc1cc(/C=C/c2nc(=O)[nH]c(c2)C(F)(F)F)cc(c1O)OC
STK675163
Synonyms: (2E)-2-{4-[(2,4-dichlorobenzyl)oxy]-3-methoxybenzylidene}-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3(2H)-one
Smiles: COc1cc(ccc1OCc1ccc(cc1Cl)Cl)/C=c\1/sc2n(c1=O)c(c(n2)c1ccccc1)c1ccccc1
STK759841
Synonyms: 4-[1-(3,4-dichlorobenzyl)-1H-benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
Smiles: Clc1ccc(cc1Cl)Cn1c(nc2c1cccc2)c1nonc1N
STK759850
Synonyms: 2-({(E)-[5-(2,3-dimethyl-4-nitrophenyl)furan-2-yl]methylidene}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile
Smiles: N#Cc1c(/N=C/c2ccc(o2)c2ccc(c(c2C)C)[N+](=O)[O-])sc2c1CCC2
STK675167
Synonyms: 5-[(4Z)-4-(3-bromo-4-hydroxy-5-methoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]-2-chlorobenzoicacid
Smiles: COc1cc(/C=C\2/C(=NN(C2=O)c2ccc(c(c2)C(=O)O)Cl)C)cc(c1O)Br
STK675168
Synonyms: 6-(methylsulfanyl)-9-(morpholin-4-ylmethyl)-9H-purine
Smiles: CSc1ncnc2c1ncn2CN1CCOCC1
STK759860
Synonyms: ethyl(4,6-dimethyl-3-nitro-2-oxopyridin-1(2H)-yl)acetate
Smiles: CCOC(=O)Cn1c(C)cc(c(c1=O)[N+](=O)[O-])C
STK759861
Synonyms: methyl(4,6-dimethyl-3-nitro-2-oxopyridin-1(2H)-yl)acetate
Smiles: COC(=O)Cn1c(C)cc(c(c1=O)[N+](=O)[O-])C
STK759880
Synonyms: 2-[(6-{[(E)-(2-chloro-6-fluorophenyl)methylidene]amino}-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-phenoxyethyl)acetamide
Smiles: O=C(CSc1sc2c(n1)ccc(c2)/N=C/c1c(F)cccc1Cl)NCCOc1ccccc1
STK759882
Synonyms: 2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]-N-[2-(ethylsulfanyl)-1,3-benzothiazol-6-yl]acetamide
Smiles: CCSc1nc2c(s1)cc(cc2)NC(=O)CSc1nc2c(s1)cc(cc2)N
STK759891
Synonyms: 5,6-dimethylquinoxaline-2,3-diol
Smiles: Cc1ccc2c(c1C)nc(c(n2)O)O
STK759893
Synonyms: (2Z)-2-(3-chloro-4-hydroxy-5-methoxybenzylidene)-7,8-dimethyl[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Smiles: COc1cc(cc(c1O)Cl)/C=c/1\sc2n(c1=O)c1c(n2)c(C)c(cc1)C
STK759894
Synonyms: N-{4-[1-(2-fluorobenzyl)-1H-benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl}acetamide
Smiles: CC(=O)Nc1nonc1c1nc2c(n1Cc1ccccc1F)cccc2
STK759897
Synonyms: (2E)-7,8-dimethyl-2-(thiophen-2-ylmethylidene)[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Smiles: Cc1ccc2c(c1C)nc1n2c(=O)/c(=C\c2cccs2)/s1
STK675189
Synonyms: 2-chloro-5-[(4Z)-4-(4-hydroxy-3-methoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoicacid
Smiles: COc1cc(ccc1O)/C=C\1/C(=NN(C1=O)c1ccc(c(c1)C(=O)O)Cl)C
STK675190
Synonyms: 2-chloro-5-[(4Z)-4-(1H-indol-3-ylmethylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoicacid
Smiles: CC1=NN(C(=O)/C/1=C\c1c[nH]c2c1cccc2)c1ccc(c(c1)C(=O)O)Cl
STK675191
Synonyms: 4-methyl-N-[2,2,2-trichloro-1-(4-hydroxyphenyl)ethyl]benzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)NC(C(Cl)(Cl)Cl)c1ccc(cc1)O
STK759904
Synonyms: 5-methyl-3-(2-methylpropyl)-1-(prop-2-en-1-yl)pyrimidine-2,4(1H,3H)-dione
Smiles: C=CCn1cc(C)c(=O)n(c1=O)CC(C)C
STK759908
Synonyms: 3-[(2Z)-4-(3,4-dimethylphenyl)-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazol-3(2H)-yl]propan-1-ol
Smiles: OCCCn1/c(=N/c2cccc(c2)C(F)(F)F)/scc1c1ccc(c(c1)C)C
STK675195
Synonyms: 2-chloro-5-[(4Z)-4-(4-methoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoicacid
Smiles: COc1ccc(cc1)/C=C\1/C(=NN(C1=O)c1ccc(c(c1)C(=O)O)Cl)C
STK759919
Synonyms: 1,3,3,6,7-pentamethyl-3,4-dihydroisoquinoline
Smiles: CC1=NC(C)(C)Cc2c1cc(C)c(c2)C
STK759920
Synonyms: 5,5-dimethyl-2-(2'H-spiro[cycloheptane-1,3'-isoquinolin]-1'(4'H)-ylidene)cyclohexane-1,3-dione
Smiles: O=C1CC(C)(C)CC(=O)C1=C1NC2(CCCCCC2)Cc2c1cccc2
STK759930
Synonyms: diethyl2-(4-chlorophenyl)-6-hydroxy-6-methyl-4-(phenylamino)cyclohex-3-ene-1,3-dicarboxylate
Smiles: CCOC(=O)C1=C(Nc2ccccc2)CC(C(C1c1ccc(cc1)Cl)C(=O)OCC)(C)O
STK675203
Synonyms: 2-chloro-5-[(4E)-3-methyl-5-oxo-4-({5-[3-(trifluoromethyl)phenyl]furan-2-yl}methylidene)-4,5-dihydro-1H-pyrazol-1-yl]benzoicacid
Smiles: CC1=NN(C(=O)/C/1=C/c1ccc(o1)c1cccc(c1)C(F)(F)F)c1ccc(c(c1)C(=O)O)Cl
STK675205
Synonyms: [(4aS,9bR)-2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indol-5-yl](tricyclo[3.3.1.1~3,7~]dec-1-yl)methanone
Smiles: CN1CC[C@H]2[C@@H](C1)c1cc(C)ccc1N2C(=O)C12CC3CC(C2)CC(C1)C3
STK759933
Synonyms: (2Z)-2-{4-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-3-methoxybenzylidene}[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Smiles: COc1cc(ccc1OCc1cc2OCOc2cc1Cl)/C=c/1\sc2n(c1=O)c1c(n2)cccc1
STK675206
Synonyms: 2,4-dichloro-N-[5-(1,3-dioxooctahydro-2H-isoindol-2-yl)-2-methoxyphenyl]benzamide
Smiles: COc1ccc(cc1NC(=O)c1ccc(cc1Cl)Cl)N1C(=O)C2C(C1=O)CCCC2
STK759935
Synonyms: ethyl1-(4-amino-1,2,5-oxadiazol-3-yl)-5-({[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}methyl)-1H-1,2,3-triazole-4-carboxylate
Smiles: CCOC(=O)c1nnn(c1CSc1nnc2c(n1)n(CC=C)c1c2cccc1)c1nonc1N
STK759936
Synonyms: ethyl1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate
Smiles: CCOC(=O)c1nnn(c1CSc1nnc2c(n1)n(CCC)c1c2cccc1)c1nonc1N
STK675208
Synonyms: 6-(3,4-dimethoxyphenyl)-5,7-diphenyl-2,3,6,7-tetrahydropyrrolo[3,4-e][1,4]diazepin-8(1H)-one
Smiles: COc1cc(ccc1OC)C1N(c2ccccc2)C(=O)C2=C1C(=NCCN2)c1ccccc1
STK759940
Synonyms: 1-(4-nitrobenzyl)-1,9-dihydro-6H-purin-6-one
Smiles: [O-][N+](=O)c1ccc(cc1)Cn1cnc2c(c1=O)nc[nH]2
STK759941
Synonyms: ethyl(9H-purin-6-ylsulfanyl)acetate
Smiles: CCOC(=O)CSc1ncnc2c1nc[nH]2
STK759942
Synonyms: 2-(dichloromethyl)-4-phenyl-3H-1,5-benzodiazepine
Smiles: ClC(C1=Nc2ccccc2N=C(C1)c1ccccc1)Cl
STK675210
Synonyms: (2S,3R,6S,7S)-6,7,9,10-tetrahydro-5H-3,6-epoxy-2,7-methano[1,3]thiazolo[2,3-e][1,4,6]oxadiazonin-2(3H)-ol
Smiles: O[C@]12C[C@@H]([C@@H]3O[C@H]2OC3)N2C(=N1)SCC2
STK675211
Synonyms: (3Z)-3-(6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene)butan-2-one
Smiles: COc1cc2c(cc1OC)CCN/C/2=C(\C(=O)C)/C
STK759946
Synonyms: N'-[(1E)-1-(thiophen-2-yl)ethylidene]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetohydrazide
Smiles: O=C(CSc1ncn[nH]1)N/N=C(/c1cccs1)\C
STK759947
Synonyms: 1,1'-(buta-1,3-diene-2,3-diyldisulfonyl)bis(4-chlorobenzene)
Smiles: C=C(S(=O)(=O)c1ccc(cc1)Cl)C(=C)S(=O)(=O)c1ccc(cc1)Cl
STK759957
Synonyms: (2E)-[4-(4-chlorophenyl)-1,3-thiazol-2-yl][2-(4-methoxyphenyl)hydrazinylidene]ethanenitrile
Smiles: N#C/C(=N\Nc1ccc(cc1)OC)/c1scc(n1)c1ccc(cc1)Cl
STK759958
Synonyms: (2E)-3-(azepan-1-yl)-2-[2-(4-fluorophenyl)hydrazinylidene]-3-iminopropanenitrile
Smiles: N#C/C(=N\Nc1ccc(cc1)F)/C(=N)N1CCCCCC1
STK759961
Synonyms: tert-butyl6-amino-5-cyano-4-(furan-2-yl)-2-methyl-4H-pyran-3-carboxylate
Smiles: N#CC1=C(N)OC(=C(C1c1ccco1)C(=O)OC(C)(C)C)C
STK759962
Synonyms: tert-butyl6-amino-5-cyano-4-(2,4-dichlorophenyl)-2-methyl-4H-pyran-3-carboxylate
Smiles: N#CC1=C(N)OC(=C(C1c1ccc(cc1Cl)Cl)C(=O)OC(C)(C)C)C
STK759963
Synonyms: tert-butyl6-amino-5-cyano-2-methyl-4-(pyridin-3-yl)-4H-pyran-3-carboxylate
Smiles: N#CC1=C(N)OC(=C(C1c1cccnc1)C(=O)OC(C)(C)C)C
STK759974
Synonyms: (2E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile
Smiles: N#C/C(=C\c1cc(OC)c(c(c1)OC)OC)/c1scc(n1)c1ccc(cc1)F
STK675217
Synonyms: 1-[3-(4-methylpiperazin-1-yl)prop-1-yn-1-yl]cyclohexylacetate
Smiles: CN1CCN(CC1)CC#CC1(CCCCC1)OC(=O)C
STK759979
Synonyms: N''-{(E)-[5-nitro-2-(piperidin-1-yl)phenyl]methylidene}carbonohydrazonicdiamide
Smiles: NC(=N/N=C/c1cc(ccc1N1CCCCC1)[N+](=O)[O-])N
STK759982
Synonyms: 2-(3,4-dimethoxyphenyl)-5-iodo-1H-phenanthro[9,10-d]imidazole
Smiles: COc1cc(ccc1OC)c1nc2c([nH]1)c1ccccc1c1c2cc(I)cc1
STK759983
Synonyms: 5-(4-bromophenyl)-4-[(4-chlorophenyl)carbonyl]-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
Smiles: Clc1ccc(cc1)C(=O)C1=C(O)C(=O)NC1c1ccc(cc1)Br
STK759985
Synonyms: 5-(2-chlorophenyl)-3-hydroxy-4-[(4-methylphenyl)carbonyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: Cc1ccc(cc1)C(=O)C1=C(O)C(=O)NC1c1ccccc1Cl
STK675222
Synonyms: 5-(1,3-benzodioxol-5-yl)-3-hydroxy-4-[(4-methylphenyl)carbonyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: Cc1ccc(cc1)C(=O)C1=C(O)C(=O)NC1c1ccc2c(c1)OCO2
STK760003
Synonyms: diethyl2-(4-fluorophenyl)-6-hydroxy-6-methyl-4-(phenylamino)cyclohex-3-ene-1,3-dicarboxylate
Smiles: CCOC(=O)C1=C(Nc2ccccc2)CC(C(C1c1ccc(cc1)F)C(=O)OCC)(C)O
STK760006
Synonyms: quinolin-8-yl(1E)-N-(2,4-dichlorophenyl)-2-oxopropanehydrazonothioate
Smiles: Clc1ccc(c(c1)Cl)N/N=C(\C(=O)C)/Sc1cccc2c1nccc2
STK675225
Synonyms: 5-{[(4aS,9bR)-2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indol-5-yl]sulfonyl}-6-methylpyrimidine-2,4(1H,3H)-dione
Smiles: CN1CC[C@H]2[C@@H](C1)c1cc(C)ccc1N2S(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O
STK760016
Synonyms: N-(2-hydroxyethyl)-4-methyl-N-phenylbenzenesulfonamide
Smiles: OCCN(S(=O)(=O)c1ccc(cc1)C)c1ccccc1
STK760023
Synonyms: 5-[4-(dimethylamino)-3-nitrobenzylidene]-1,3-diphenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: S=C1N(c2ccccc2)C(=O)/C(=C/c2ccc(c(c2)[N+](=O)[O-])N(C)C)/C(=O)N1c1ccccc1
STK760030
Synonyms: (5-bromo-1-benzofuran-2-yl)[1-(4-ethoxyphenyl)-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl]methanone
Smiles: CCOc1ccc(cc1)C1N(CCc2c1[nH]c1c2cccc1)C(=O)c1cc2c(o1)ccc(c2)Br
STK675244
Synonyms: [(2Z)-2-(3,4-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1H-inden-1-ylidene]propanedinitrile
Smiles: COc1ccc(cc1OC)/C=C/1\C(=O)c2c(C1=C(C#N)C#N)cccc2
STK675247
Synonyms: N-{4-[(2,6-dichlorobenzyl)oxy]benzyl}-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethanamine
Smiles: CC(C12CC3CC(C2)CC(C1)C3)NCc1ccc(cc1)OCc1c(Cl)cccc1Cl
STK675248
Synonyms: 2-(3-chloro-4-{[(2,4-dichlorophenyl)carbonyl]amino}phenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylicacid
Smiles: Clc1ccc(c(c1)Cl)C(=O)Nc1ccc(cc1Cl)N1C(=O)c2c(C1=O)cc(cc2)C(=O)O
STK675249
Synonyms: 2-[4-(acetylamino)-3,5-dichlorophenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylicacid
Smiles: CC(=O)Nc1c(Cl)cc(cc1Cl)N1C(=O)c2c(C1=O)cc(cc2)C(=O)O
STK675250
Synonyms: 2-(3-{[(2,4-dichlorophenyl)carbonyl]amino}-4-methoxyphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylicacid
Smiles: COc1ccc(cc1NC(=O)c1ccc(cc1Cl)Cl)N1C(=O)c2c(C1=O)cc(cc2)C(=O)O
STK675257
Synonyms: 2-(1,3-benzodioxol-5-yl)-1-(1-benzofuran-2-ylcarbonyl)-1,2-dihydro-4H-3,1-benzoxazin-4-one
Smiles: O=C1OC(c2ccc3c(c2)OCO3)N(c2c1cccc2)C(=O)c1cc2c(o1)cccc2
STK760044
Synonyms: 4-(3,4-dimethylphenyl)-3,5-diphenyl-4H-1,2,4-triazole
Smiles: Cc1ccc(cc1C)n1c(nnc1c1ccccc1)c1ccccc1
STK760057
Synonyms: (5Z)-5-{3-[(4-fluorobenzyl)oxy]benzylidene}-2-thioxoimidazolidin-4-one
Smiles: S=C1NC(=O)/C(=C/c2cccc(c2)OCc2ccc(cc2)F)/N1
STK675263
Synonyms: [2-oxo-3-(2-oxopropyl)-2,3-dihydro-1H-indol-3-yl]propanedinitrile
Smiles: N#CC(C1(CC(=O)C)C(=O)Nc2c1cccc2)C#N
STK760069
Synonyms: ethyl7-chloro-1-ethyl-6-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylate
Smiles: CCOC(=O)c1cn(CC)c2c(c1=O)cc(c(c2)Cl)[N+](=O)[O-]
STK760071
Synonyms: (4E)-N-hydroxy-6,7-dihydro-2,1,3-benzoxadiazol-4(5H)-imine
Smiles: O/N=C/1\CCCc2c1non2
STK760073
Synonyms: 1-(5-nitro-2H-tetrazol-2-yl)propan-2-one
Smiles: CC(=O)Cn1nnc(n1)[N+](=O)[O-]
STK760074
Synonyms: 1-methyl-4-nitro-1H-imidazole
Smiles: [O-][N+](=O)c1cn(cn1)C
STK760075
Synonyms: [(1E)-2-nitroprop-1-en-1-yl]benzene
Smiles: C/C(=C\c1ccccc1)/[N+](=O)[O-]
STK675278
Synonyms: (4-{(E)-[4-(carboxymethyl)-1,2,5-oxadiazol-3-yl]-NNO-azoxy}-1,2,5-oxadiazol-3-yl)aceticacid
Smiles: OC(=O)Cc1nonc1/N=[N+](\c1nonc1CC(=O)O)/[O-]
STK760078
Synonyms: N,N'-(1,2-dihydroxyethane-1,2-diyl)diacetamide
Smiles: OC(C(NC(=O)C)O)NC(=O)C
STK675279
Synonyms: 2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanol
Smiles: OCCC1CC(C)(C)NC(C1)(C)C
STK760080
Synonyms: (2E)-1-cyclopropyl-3-(furan-2-yl)prop-2-en-1-one
Smiles: O=C(C1CC1)/C=C/c1ccco1
STK760083
Synonyms: 4-[(pyridin-3-ylcarbonyl)amino]butanoicacid
Smiles: OC(=O)CCCNC(=O)c1cccnc1
STK760085
Synonyms: N-(4-nitrophenyl)-Nalpha-(phenylcarbonyl)phenylalaninamide
Smiles: O=C(C(NC(=O)c1ccccc1)Cc1ccccc1)Nc1ccc(cc1)[N+](=O)[O-]
STK760088
Synonyms: 3-(hexyloxy)aniline
Smiles: CCCCCCOc1cccc(c1)N
STK675287
Synonyms: 2-[4-(dimethylamino)benzyl]-1H-indene-1,3(2H)-dione
Smiles: CN(c1ccc(cc1)CC1C(=O)c2c(C1=O)cccc2)C
STK760092
Synonyms: 4,4'-methanediylbis(2-methylaniline)
Smiles: Nc1ccc(cc1C)Cc1ccc(c(c1)C)N
STK760093
Synonyms: 2-hydroxy-5-[(E)-phenyldiazenyl]benzaldehyde
Smiles: O=Cc1cc(/N=N/c2ccccc2)ccc1O
STK760097
Synonyms: 9,11-dinitrobenzo[b]naphtho[1,2-f]oxepine
Smiles: [O-][N+](=O)c1cc(cc2c1C=Cc1c(O2)ccc2c1cccc2)[N+](=O)[O-]
STK760101
Synonyms: 3-amino-4,6-dimethylpyridin-2(1H)-one
Smiles: Cc1cc(C)[nH]c(=O)c1N
STK760104
Synonyms: N-(1H-benzotriazol-1-ylmethyl)-4-(1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-amine
Smiles: o1nc(c(n1)c1nocn1)NCn1nnc2c1cccc2
STK675301
Synonyms: 4-[(1H-benzotriazol-1-ylmethyl)amino]-1,2,5-oxadiazole-3-carboxylicacid
Smiles: OC(=O)c1nonc1NCn1nnc2c1cccc2
STK760108
Synonyms: 7'-amino-1-methyl-2,2',4'-trioxo-1,1',2,2',3',4'-hexahydrospiro[indole-3,5'-pyrano[2,3-d]pyrimidine]-6'-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C31c1ccccc1N(C3=O)C)c(=O)[nH]c(=O)[nH]2
STK675311
Synonyms: 5-{(4Z)-4-[4-(acetyloxy)-3-methoxybenzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}-2-chlorobenzoicacid
Smiles: COc1cc(ccc1OC(=O)C)/C=C\1/C(=NN(C1=O)c1ccc(c(c1)C(=O)O)Cl)C
STK760117
Synonyms: quinolin-8-yl4-methyl-3-[(4-methylpiperidin-1-yl)sulfonyl]benzoate
Smiles: CC1CCN(CC1)S(=O)(=O)c1cc(ccc1C)C(=O)Oc1cccc2c1nccc2
STK760135
Synonyms: N-[(2Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2,5-dimethylphenyl)-1,3-thiazol-2(3H)-ylidene]-3-(trifluoromethyl)aniline
Smiles: COc1ccc(cc1OC)CCn1/c(=N/c2cccc(c2)C(F)(F)F)/scc1c1cc(C)ccc1C
STK760139
Synonyms: methyl4-(3-{[N'-(1,3-benzodioxol-5-yl)-N-ethylcarbamimidoyl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)benzoate
Smiles: CCN/C(=N\c1ccc2c(c1)OCO2)/SC1CC(=O)N(C1=O)c1ccc(cc1)C(=O)OC
STK675325
Synonyms: 2-chloro-5-[(4E)-3-methyl-5-oxo-4-(thiophen-2-ylmethylidene)-4,5-dihydro-1H-pyrazol-1-yl]benzoicacid
Smiles: CC1=NN(C(=O)/C/1=C/c1cccs1)c1ccc(c(c1)C(=O)O)Cl
STK675326
Synonyms: 2-chloro-5-[(4E)-4-(2-fluorobenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoicacid
Smiles: CC1=NN(C(=O)/C/1=C/c1ccccc1F)c1ccc(c(c1)C(=O)O)Cl
STK760154
Synonyms: (3Z)-3-(bromoimino)-1,5,5-trimethyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile
Smiles: Br/N=C/1\OC2(C(C1(C#N)C(C2)(C)C)(C#N)C#N)C
STK760158
Synonyms: 2-[(6-{[(E)-(4-fluorophenyl)methylidene]amino}-1,3-benzothiazol-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Smiles: O=C(Nc1cccc(c1)C(F)(F)F)CSc1sc2c(n1)ccc(c2)/N=C/c1ccc(cc1)F
STK760162
Synonyms: 2-(4-butyl-3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)-N-(4-fluorophenyl)acetamide
Smiles: CCCCC1(CC(=O)Nc2ccc(cc2)F)C(=O)N(N(C1=O)c1ccccc1)c1ccccc1
STK760167
Synonyms: 2-amino-7,7-dimethyl-1-(2-methylphenyl)-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(N)N(c2ccccc2C)C2=C(C1c1ccsc1)C(=O)CC(C2)(C)C
STK760172
Synonyms: 2-amino-1,5-diphenyl-1H-pyrrole-3,4-dicarbonitrile
Smiles: N#Cc1c(C#N)c(n(c1c1ccccc1)c1ccccc1)N
STK760176
Synonyms: (4,5-difluoro-2-methylphenyl)[4-(2-fluoro-4-nitrophenyl)piperazin-1-yl]methanone
Smiles: Fc1cc(ccc1N1CCN(CC1)C(=O)c1cc(F)c(cc1C)F)[N+](=O)[O-]
STK675334
Synonyms: (3E,8xi,9xi,14xi,16alpha,20Z)-16-ethyl-N~3~,N~20~-dihydroxypregn-4-ene-3,20-diimine
Smiles: CC[C@@H]1CC2[C@]([C@H]1/C(=N\O)/C)(C)CCC1C2CCC2=C/C(=N/O)/CC[C@]12C
STK675335
Synonyms: (2E,5E)-3-cyclopentyl-5-(4-hydroxy-3-iodo-5-methoxybenzylidene)-2-(phenylimino)-1,3-thiazolidin-4-one
Smiles: COc1cc(/C=C\2/S/C(=N/c3ccccc3)/N(C2=O)C2CCCC2)cc(c1O)I
STK675338
Synonyms: 2-chloro-5-[(4Z)-4-(2,4-dichlorobenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoicacid
Smiles: Clc1ccc(c(c1)Cl)/C=C\1/C(=NN(C1=O)c1ccc(c(c1)C(=O)O)Cl)C
STK675339
Synonyms: 2-chloro-5-{(4Z)-4-[4-(cyanomethoxy)-3-methoxybenzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoicacid
Smiles: N#CCOc1ccc(cc1OC)/C=C\1/C(=NN(C1=O)c1ccc(c(c1)C(=O)O)Cl)C
STK675340
Synonyms: 2-chloro-5-{(4Z)-4-[3-methoxy-4-(prop-2-en-1-yloxy)benzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoicacid
Smiles: C=CCOc1ccc(cc1OC)/C=C\1/C(=NN(C1=O)c1ccc(c(c1)C(=O)O)Cl)C
STK675341
Synonyms: 2-chloro-5-[(4E)-3-methyl-4-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoicacid
Smiles: CC1=NN(C(=O)/C/1=C/c1ccc(o1)c1ccccc1[N+](=O)[O-])c1ccc(c(c1)C(=O)O)Cl
STK675342
Synonyms: 2-chloro-5-{(4Z)-3-methyl-4-[4-(methylsulfanyl)benzylidene]-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoicacid
Smiles: CSc1ccc(cc1)/C=C\1/C(=NN(C1=O)c1ccc(c(c1)C(=O)O)Cl)C
STK675346
Synonyms: 1,3-dimethyl-2-thioxo-5-({5-[3-(trifluoromethyl)phenyl]furan-2-yl}methylidene)dihydropyrimidine-4,6(1H,5H)-dione
Smiles: S=C1N(C)C(=O)C(=Cc2ccc(o2)c2cccc(c2)C(F)(F)F)C(=O)N1C
STK675350
Synonyms: N'-[2,6-di(morpholin-4-yl)pyrimidin-4-yl]tricyclo[3.3.1.1~3,7~]decane-1-carbohydrazide
Smiles: O=C(C12CC3CC(C2)CC(C1)C3)NNc1cc(nc(n1)N1CCOCC1)N1CCOCC1
STK760201
Synonyms: N'-[2,6-di(pyrrolidin-1-yl)pyrimidin-4-yl]propanehydrazide
Smiles: CCC(=O)NNc1cc(nc(n1)N1CCCC1)N1CCCC1
STK675351
Synonyms: N,N,N',N',N'',N'',N''',N'''-octamethyl-7,14-bis(trifluoromethyl)-7H,14H-7,14-epoxycycloocta[1,2,3-de:5,6,7-d'e']dinaphthalene-3,4,10,11-tetramine
Smiles: CN(c1ccc2c3c1c(ccc3C1(OC2(c2ccc(c3c2c1ccc3N(C)C)N(C)C)C(F)(F)F)C(F)(F)F)N(C)C)C
STK675352
Synonyms: 5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
Smiles: c1ccc(cc1)C1=CCn2c(N1)ncn2
STK760206
Synonyms: N-[5-({2-[(4-acetylphenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-2-[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]acetamide
Smiles: O=C(Nc1nnc(s1)SCC(=O)Nc1ccc(cc1)C(=O)C)CSc1nnc2n1ncn2N
STK760211
Synonyms: 1-[(4-bromobenzyl)oxy]-6-nitro-1H-benzotriazole
Smiles: Brc1ccc(cc1)COn1nnc2c1cc(cc2)[N+](=O)[O-]
STK675358
Synonyms: dimethyl5-({[3-bromo-5-(5-bromofuran-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-3-methylthiophene-2,4-dicarboxylate
Smiles: COC(=O)c1c(NC(=O)c2nn3c(c2Br)nc(cc3C(F)(F)F)c2ccc(o2)Br)sc(c1C)C(=O)OC
STK760218
Synonyms: 3-bromo-5-(furan-2-yl)-N-(propan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Smiles: CC(NC(=O)c1nn2c(c1Br)nc(cc2C(F)(F)F)c1ccco1)C
STK675360
Synonyms: 3-({[3-(morpholin-4-ylsulfonyl)phenyl]carbonyl}amino)phenyl3-(azepan-1-ylsulfonyl)benzoate
Smiles: O=C(c1cccc(c1)S(=O)(=O)N1CCOCC1)Nc1cccc(c1)OC(=O)c1cccc(c1)S(=O)(=O)N1CCCCCC1
STK675366
Synonyms: 2,4,6-trichloro-5-nitropyridine-3-carboxylicacid
Smiles: [O-][N+](=O)c1c(Cl)nc(c(c1Cl)C(=O)O)Cl
STK760235
Synonyms: 4-[(4-fluorophenyl)sulfamoyl]-N-phenylthiophene-2-carboxamide
Smiles: Fc1ccc(cc1)NS(=O)(=O)c1csc(c1)C(=O)Nc1ccccc1
STK760241
Synonyms: N-(3-methoxypropyl)-2-oxo-2-{(2E)-2-[3-(prop-2-en-1-yloxy)benzylidene]hydrazinyl}acetamide
Smiles: COCCCNC(=O)C(=O)N/N=C/c1cccc(c1)OCC=C
STK760244
Synonyms: 2-amino-6-cyclopropyl-5-(3-nitro-1H-1,2,4-triazol-1-yl)-4-phenyl-4H-pyran-3-carbonitrile
Smiles: N#CC1=C(N)OC(=C(C1c1ccccc1)n1cnc(n1)[N+](=O)[O-])C1CC1
STK675371
Synonyms: 3-benzyl-5,6,6-trimethyl-3,6-dihydro-2H-1,3,4-oxadiazin-2-one
Smiles: O=C1OC(C)(C)C(=NN1Cc1ccccc1)C
STK675375
Synonyms: 2-{[2-hydroxy-3-(morpholin-4-yl)propyl]sulfanyl}-4,6-diphenylpyridine-3-carbonitrile
Smiles: N#Cc1c(SCC(CN2CCOCC2)O)nc(cc1c1ccccc1)c1ccccc1
STK675376
Synonyms: 3-amino-6-propylthieno[2,3-b]pyridine-2-carboxamide
Smiles: CCCc1ccc2c(n1)sc(c2N)C(=O)N
STK760251
Synonyms: 3,3'-bi-1,2,5-oxadiazole-4,4'-diamine
Smiles: Nc1nonc1c1nonc1N
STK760254
Synonyms: 2,3,3-trichloroprop-2-en-1-yl6-[(2,4-dimethoxypyrimidin-5-yl)carbamoyl]cyclohex-3-ene-1-carboxylate
Smiles: COc1nc(OC)ncc1NC(=O)C1CC=CCC1C(=O)OCC(=C(Cl)Cl)Cl
STK760255
Synonyms: N'-[(1E)-1-phenylethylidene]-1-(phenylsulfonyl)piperidine-4-carbohydrazide
Smiles: O=C(C1CCN(CC1)S(=O)(=O)c1ccccc1)N/N=C(/c1ccccc1)\C
STK760260
Synonyms: 5-(biphenyl-4-yl)-5-ethylpyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCC1(C(=O)NC(=O)NC1=O)c1ccc(cc1)c1ccccc1
STK760264
Synonyms: (4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)(1-methyl-4-nitro-1H-pyrazol-3-yl)methanone
Smiles: Cn1nc(c(c1)[N+](=O)[O-])C(=O)n1nc(c(c1C)Br)C
STK760265
Synonyms: (4-bromo-1H-pyrazol-1-yl)(1-methyl-4-nitro-1H-pyrazol-3-yl)methanone
Smiles: Brc1cnn(c1)C(=O)c1nn(cc1[N+](=O)[O-])C
STK760266
Synonyms: (4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)(phenyl)methanone
Smiles: Cc1nn(c(c1Cl)C)C(=O)c1ccccc1
STK675380
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(azepan-1-ylmethyl)-N'-[(E)-(2-ethoxyphenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCOc1ccccc1/C=N/NC(=O)c1nnn(c1CN1CCCCCC1)c1nonc1N
STK760269
Synonyms: N'-[(E)-furan-2-ylmethylidene]-2-(4-methoxyphenyl)-2,3-dihydro-1H-isoindole-5-carbohydrazide
Smiles: COc1ccc(cc1)N1Cc2c(C1)cc(cc2)C(=O)N/N=C/c1ccco1
STK760270
Synonyms: 3-amino-5-[2-(4-bromophenyl)-2-oxoethyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carbonitrile
Smiles: N#Cc1sc2c(c1N)c(C)c(c(n2)C)CC(=O)c1ccc(cc1)Br
STK760271
Synonyms: 4-(1H-benzotriazol-1-yl)-3-nitrobenzonitrile
Smiles: N#Cc1ccc(c(c1)[N+](=O)[O-])n1nnc2c1cccc2
STK760277
Synonyms: 2-(2,4-dichlorophenoxy)-1-(3-nitro-1H-pyrazol-1-yl)ethanone
Smiles: Clc1ccc(c(c1)Cl)OCC(=O)n1ccc(n1)[N+](=O)[O-]
STK675389
Synonyms: 2-chloro-5-[(4Z)-4-(2-methoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoicacid
Smiles: COc1ccccc1/C=C\1/C(=NN(C1=O)c1ccc(c(c1)C(=O)O)Cl)C
STK675392
Synonyms: 2-{5-[(E)-(2-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetyl}hydrazinylidene)methyl]furan-2-yl}benzoicacid
Smiles: O=C(CSc1nnnn1c1ccccc1)N/N=C/c1ccc(o1)c1ccccc1C(=O)O
STK760288
Synonyms: 2-(4-chlorophenoxy)-N-(2,4-dichlorophenyl)pyridine-3-carboxamide
Smiles: Clc1ccc(cc1)Oc1ncccc1C(=O)Nc1ccc(cc1Cl)Cl
STK760290
Synonyms: 2-methoxy-4,6-dimethylpyridine-3-carboxamide
Smiles: COc1nc(C)cc(c1C(=O)N)C
STK760298
Synonyms: 3-bromo-5-(furan-2-yl)-N-(2-methylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Smiles: CC(CNC(=O)c1nn2c(c1Br)nc(cc2C(F)(F)F)c1ccco1)C
STK760299
Synonyms: 3-bromo-5-(furan-2-yl)-N-propyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Smiles: CCCNC(=O)c1nn2c(c1Br)nc(cc2C(F)(F)F)c1ccco1
STK675398
Synonyms: [5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl](4-methylpiperazin-1-yl)methanone
Smiles: CN1CCN(CC1)C(=O)c1nn2c(c1)nc(cc2C(F)(F)F)c1ccc(cc1)Br
STK760302
Synonyms: methyl5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
Smiles: COC(=O)c1cnn2c1nc(cc2C(F)(F)F)c1ccc(cc1)Br
STK760303
Synonyms: N-[1-(bicyclo[2.2.1]hept-2-yl)ethyl]-3-bromo-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Smiles: CC(C1CC2CC1CC2)NC(=O)c1nn2c(c1Br)nc(cc2C(F)(F)F)c1cccs1
STK760304
Synonyms: 5-(4-bromophenyl)-N-(4-chlorobenzyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Smiles: Clc1ccc(cc1)CNC(=O)c1cc2n(n1)c(cc(n2)c1ccc(cc1)Br)C(F)(F)F
STK760305
Synonyms: 5-(4-bromophenyl)-N-(propan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Smiles: CC(NC(=O)c1nn2c(c1)nc(cc2C(F)(F)F)c1ccc(cc1)Br)C
STK675402
Synonyms: N-(2,6-dimethoxypyrimidin-4-yl)-2,6-difluorobenzamide
Smiles: COc1nc(OC)nc(c1)NC(=O)c1c(F)cccc1F
STK760318
Synonyms: 1-[(2,2-dichloroethenyl)sulfonyl]-4-methylbenzene
Smiles: ClC(=CS(=O)(=O)c1ccc(cc1)C)Cl
STK760322
Synonyms: 3-methoxy-4,6-dinitro-1,2-benzothiazole
Smiles: COc1nsc2c1c(cc(c2)[N+](=O)[O-])[N+](=O)[O-]
STK760327
Synonyms: 3-amino-4,6-dimethyl-5-(2-oxo-2-phenylethyl)thieno[2,3-b]pyridine-2-carbonitrile
Smiles: N#Cc1sc2c(c1N)c(C)c(c(n2)C)CC(=O)c1ccccc1
STK760328
Synonyms: 3-amino-4,6-dimethyl-5-(2-oxo-2-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: O=C(c1ccccc1)Cc1c(C)nc2c(c1C)c(N)c(s2)C(=O)N
STK760332
Synonyms: 5-methyl-3H-pyrimido[4',5':3,4]pyrazolo[1,5-a]benzimidazol-4(5H)-one
Smiles: O=c1[nH]cnc2c1c1n(C)c3c(n1n2)cccc3
STK675409
Synonyms: N-[(2-{[(1S,2S)-2-phenylcyclopropyl]carbonyl}hydrazinyl)carbonothioyl]biphenyl-4-carboxamide
Smiles: S=C(NC(=O)c1ccc(cc1)c1ccccc1)NNC(=O)[C@H]1C[C@@H]1c1ccccc1
STK675412
Synonyms: 2-(3-nitro-1H-1,2,4-triazol-1-yl)-1-(10H-phenothiazin-10-yl)ethanone
Smiles: O=C(N1c2ccccc2Sc2c1cccc2)Cn1cnc(n1)[N+](=O)[O-]
STK675414
Synonyms: N-[1,1,1,3,3,3-hexafluoro-2-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)propan-2-yl]propanamide
Smiles: CCC(=O)NC(C(F)(F)F)(C(F)(F)F)c1c(C)nn(c1O)c1ccccc1
STK675415
Synonyms: 2-(methylsulfanyl)-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylicacid
Smiles: CSc1nn2c(n1)[nH]cc(c2=O)C(=O)O
STK760340
Synonyms: ethyl3,3,3-trifluoro-2-(propanoylamino)-N-[3-(trifluoromethyl)quinoxalin-2-yl]alaninate
Smiles: CCOC(=O)C(C(F)(F)F)(Nc1nc2ccccc2nc1C(F)(F)F)NC(=O)CC
STK760343
Synonyms: 2-[(E)-({2-[(2,5-dichlorobenzyl)sulfanyl]-1,3-benzothiazol-6-yl}imino)methyl]phenol
Smiles: Clc1ccc(c(c1)CSc1sc2c(n1)ccc(c2)/N=C/c1ccccc1O)Cl
STK760344
Synonyms: 1-[(E)-({2-[(2,5-dichlorobenzyl)sulfanyl]-1,3-benzothiazol-6-yl}imino)methyl]naphthalen-2-ol
Smiles: Clc1ccc(c(c1)CSc1nc2c(s1)cc(cc2)/N=C/c1c(O)ccc2c1cccc2)Cl
STK760345
Synonyms: 5-(4-bromophenyl)-3-chloro-N-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Smiles: Brc1ccc(cc1)c1nc2c(Cl)c(nn2c(c1)C(F)(F)F)C(=O)Nc1ccc(c(c1)C)C
STK760346
Synonyms: 5-(4-bromophenyl)-N-(3-methoxy-5-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Smiles: COc1cc(NC(=O)c2cc3n(n2)c(cc(n3)c2ccc(cc2)Br)C(F)(F)F)cc(c1)[N+](=O)[O-]
STK760347
Synonyms: 3,4-dihydroisoquinolin-2(1H)-yl[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
Smiles: O=C(c1cnn2c1nc(cc2C(F)(F)F)c1ccccc1)N1CCc2c(C1)cccc2
STK675423
Synonyms: 3,3'-dimethyl-8,8'-bis[(E)-(2-phenylhydrazinylidene)methyl]-5,5'-di(propan-2-yl)-2,2'-binaphthalene-1,1',6,6',7,7'-hexol
Smiles: Cc1cc2c(C(C)C)c(O)c(c(c2c(c1c1c(C)cc2c(c1O)c(/C=N/Nc1ccccc1)c(c(c2C(C)C)O)O)O)/C=N/Nc1ccccc1)O
STK760362
Synonyms: methyl6-amino-5-cyano-4-(2,4-dimethylphenyl)-2-methyl-4H-pyran-3-carboxylate
Smiles: COC(=O)C1=C(C)OC(=C(C1c1ccc(cc1C)C)C#N)N
STK760363
Synonyms: methyl6-amino-4-(5-bromothiophen-2-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
Smiles: COC(=O)C1=C(C)OC(=C(C1c1ccc(s1)Br)C#N)N
STK760364
Synonyms: 2-amino-4-(5-butylthiophen-2-yl)-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile
Smiles: CCCCc1ccc(s1)C1C2CCCC=C2C(=C(C1(C#N)C#N)N)C#N
STK760366
Synonyms: 3-[1-(3-phenylprop-2-yn-1-yl)piperidinium-1-yl]propane-1-sulfonate
Smiles: [O-]S(=O)(=O)CCC[N+]1(CCCCC1)CC#Cc1ccccc1
STK760367
Synonyms: methyl1-[(1-methyl-4-nitro-1H-pyrazol-3-yl)carbonyl]-1H-indole-3-carboxylate
Smiles: COC(=O)c1cn(c2c1cccc2)C(=O)c1nn(cc1[N+](=O)[O-])C
STK760370
Synonyms: 5-amino-3-{(Z)-2-[3-bromo-4-(cyanomethoxy)-5-methoxyphenyl]-1-cyanoethenyl}-1-phenyl-1H-pyrazole-4-carbonitrile
Smiles: N#CCOc1c(Br)cc(cc1OC)/C=C(/c1nn(c(c1C#N)N)c1ccccc1)\C#N
STK675429
Synonyms: 3,6-dimethyl-8-nitro-1,4-dihydroimidazo[5,1-c][1,2,4]triazine
Smiles: CC1=NNc2n(C1)c(C)nc2[N+](=O)[O-]
STK760380
Synonyms: 1-[5-hydroxy-3-methyl-5-(pyridin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-methylphenyl)ethanone
Smiles: Cc1ccc(cc1)CC(=O)N1N=C(CC1(O)c1cccnc1)C
STK760381
Synonyms: [3-amino-4-(methoxymethyl)-6-methylfuro[2,3-b]pyridin-2-yl](phenyl)methanone
Smiles: COCc1cc(C)nc2c1c(N)c(o2)C(=O)c1ccccc1
STK760383
Synonyms: [3-(azepan-1-ylsulfonyl)phenyl](2,3-dihydro-1H-indol-1-yl)methanone
Smiles: O=C(N1CCc2c1cccc2)c1cccc(c1)S(=O)(=O)N1CCCCCC1
STK760386
Synonyms: 1H-benzotriazol-1-yl(naphthalen-1-yl)methanone
Smiles: O=C(n1nnc2c1cccc2)c1cccc2c1cccc2
STK760387
Synonyms: 5-(4-chlorophenyl)-1-phenyl-3-(phenylamino)-1,5-dihydro-2H-pyrrol-2-one
Smiles: Clc1ccc(cc1)C1C=C(C(=O)N1c1ccccc1)Nc1ccccc1
STK760390
Synonyms: N-(3-chlorophenyl)-3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanamide
Smiles: O=C(Nc1cccc(c1)Cl)CCN1C(=O)c2c(C1=O)cccc2
STK675433
Synonyms: N,N'-bis{(E)-[4-(dimethylamino)-3-nitrophenyl]methylidene}-3,3'-dimethylbiphenyl-4,4'-diamine
Smiles: Cc1cc(ccc1/N=C/c1ccc(c(c1)[N+](=O)[O-])N(C)C)c1ccc(c(c1)C)/N=C/c1ccc(c(c1)[N+](=O)[O-])N(C)C
STK760398
Synonyms: 5-(phenylamino)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Smiles: O=C1c2ccccc2c2c3c1c(ccc3no2)Nc1ccccc1
STK760401
Synonyms: anthra[1,9-cd:5,10-c'd']bis[1,2]oxazole
Smiles: c1cc2noc3c2c(c1)c1onc2c1c3ccc2
STK760404
Synonyms: N-[2-(3,4-dimethoxyphenyl)-4-oxo-1,4-dihydroquinazolin-3(2H)-yl]acetamide
Smiles: COc1cc(ccc1OC)C1Nc2ccccc2C(=O)N1NC(=O)C
STK675445
Synonyms: 2-chloro-5-{(4Z)-4-[3,5-dibromo-2-(prop-2-en-1-yloxy)benzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoicacid
Smiles: C=CCOc1c(cc(cc1Br)Br)/C=C\1/C(=NN(C1=O)c1ccc(c(c1)C(=O)O)Cl)C
STK675446
Synonyms: 5-[(4Z)-4-(2-bromo-4,5-dimethoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]-2-chlorobenzoicacid
Smiles: COc1cc(Br)c(cc1OC)/C=C\1/C(=NN(C1=O)c1ccc(c(c1)C(=O)O)Cl)C
STK760411
Synonyms: 4-methyl-2-[5-(2-nitrophenyl)-1H-pyrazol-3-yl]phenol
Smiles: Cc1ccc(c(c1)c1n[nH]c(c1)c1ccccc1[N+](=O)[O-])O
STK675447
Synonyms: 2-chloro-5-[(4E)-4-{[1-(4-chlorobenzyl)-1H-indol-3-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoicacid
Smiles: Clc1ccc(cc1)Cn1cc(c2c1cccc2)/C=C/1\C(=NN(C1=O)c1ccc(c(c1)C(=O)O)Cl)C
STK760415
Synonyms: (1-benzyl-1H-imidazol-2-yl)(naphthalen-1-yl)methanol
Smiles: OC(c1nccn1Cc1ccccc1)c1cccc2c1cccc2
STK760418
Synonyms: 4,4'-[(4-chlorobenzene-1,3-diyl)disulfonyl]bis(2,6-dimethylmorpholine)
Smiles: CC1OC(C)CN(C1)S(=O)(=O)c1ccc(c(c1)S(=O)(=O)N1CC(C)OC(C1)C)Cl
STK760426
Synonyms: N-(furan-2-ylmethyl)-3-[(4-methylpiperidin-1-yl)sulfonyl]benzamide
Smiles: CC1CCN(CC1)S(=O)(=O)c1cccc(c1)C(=O)NCc1ccco1
STK760427
Synonyms: 5,7-dichloroquinolin-8-yl2-chloro-5-(piperidin-1-ylsulfonyl)benzoate
Smiles: O=C(c1cc(ccc1Cl)S(=O)(=O)N1CCCCC1)Oc1c(Cl)cc(c2c1nccc2)Cl
STK760428
Synonyms: pyridin-3-yl2-chloro-5-(piperidin-1-ylsulfonyl)benzoate
Smiles: O=C(c1cc(ccc1Cl)S(=O)(=O)N1CCCCC1)Oc1cccnc1
STK760430
Synonyms: 3-methyl-10-(4-methylphenyl)pyrimido[4,5-b]quinoline-2,4(3H,10H)-dione
Smiles: Cc1ccc(cc1)n1c2ccccc2cc2c1nc(=O)n(c2=O)C
STK675453
Synonyms: 4-ethoxy-N-[(2Z)-3-methyl-4-(4-methylphenyl)-1,3-thiazol-2(3H)-ylidene]aniline
Smiles: CCOc1ccc(cc1)/N=c/1\scc(n1C)c1ccc(cc1)C
STK760435
Synonyms: S-{2-[(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl}benzenecarbothioate
Smiles: O=C(Nc1nc2c(s1)C(=O)CC(C2)(C)C)CSC(=O)c1ccccc1
STK760436
Synonyms: ethyl6-oxo-6-(2-oxo-5-{[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]methyl}-2,3-dihydro-1H-imidazol-4-yl)hexanoate
Smiles: CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1CSc1nnc2c(n1)n(CCC)c1c2cccc1
STK760442
Synonyms: 2-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]phenol
Smiles: Clc1ccccc1c1[nH]nc(c1)c1ccccc1O
STK760453
Synonyms: 1-[5-(4-fluorophenyl)-5-hydroxy-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]propan-1-one
Smiles: CCC(=O)N1N=C(CC1(O)c1ccc(cc1)F)C(F)(F)F
STK675458
Synonyms: 7,7-dimethyl-4-phenyl-2-thioxo-2,3,4,6,7,8-hexahydroquinazolin-5(1H)-one
Smiles: S=C1NC2=C(C(N1)c1ccccc1)C(=O)CC(C2)(C)C
STK760461
Synonyms: methyl4-(3-{[N'-(2,5-dichlorophenyl)-N-methylcarbamimidoyl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)benzoate
Smiles: CN/C(=N\c1cc(Cl)ccc1Cl)/SC1CC(=O)N(C1=O)c1ccc(cc1)C(=O)OC
STK675460
Synonyms: 5-bromo-1-(1-methoxyethyl)pyrimidine-2,4(1H,3H)-dione
Smiles: CC(n1cc(Br)c(=O)[nH]c1=O)OC
STK760463
Synonyms: methyl6a-methyl-5-(3-methylphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Smiles: COC(=O)C1=NNC2(C1C(=O)N(C2=O)c1cccc(c1)C)C
STK760465
Synonyms: 2-(4-methoxyphenyl)-5-phenyl-4-[4-(phenylsulfanyl)phenyl]-1H-imidazole
Smiles: COc1ccc(cc1)c1nc(c([nH]1)c1ccccc1)c1ccc(cc1)Sc1ccccc1
STK760468
Synonyms: diethyl6-hydroxy-6-methyl-2-(4-methylphenyl)-4-(phenylamino)cyclohex-3-ene-1,3-dicarboxylate
Smiles: CCOC(=O)C1=C(Nc2ccccc2)CC(C(C1c1ccc(cc1)C)C(=O)OCC)(C)O
STK760470
Synonyms: 5-(3-fluorophenyl)-3-hydroxy-4-(phenylcarbonyl)-1-(pyridin-3-yl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: Fc1cccc(c1)C1C(=C(C(=O)N1c1cccnc1)O)C(=O)c1ccccc1
STK760474
Synonyms: N-(4-oxo-4,5-dihydro-1,3-thiazol-2-yl)-2-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
Smiles: CCCn1c2ccccc2c2c1nc(SCC(=O)NC1=NC(=O)CS1)nn2
STK760479
Synonyms: 8-bromo-5-methyl-3-(propan-2-ylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole
Smiles: CC(Sc1nnc2c(n1)n(C)c1c2cc(cc1)Br)C
STK760483
Synonyms: 2-[(1,1-dioxido-1,2-benzothiazol-3-yl)(phenyl)amino]-N'-[(E)-(4-fluorophenyl)methylidene]acetohydrazide(non-preferredname)
Smiles: O=C(CN(C1=NS(=O)(=O)c2c1cccc2)c1ccccc1)N/N=C/c1ccc(cc1)F
STK760518
Synonyms: (2E)-3-[(5-chloro-2-methylphenyl)amino]-4,4,4-trifluoro-1-phenylbut-2-en-1-one
Smiles: Clc1ccc(c(c1)N/C(=C/C(=O)c1ccccc1)/C(F)(F)F)C
STK760519
Synonyms: 6-bromo-N-({2-[(4-butoxyphenyl)carbonyl]hydrazinyl}carbonothioyl)-2-oxo-2H-chromene-3-carboxamide
Smiles: CCCCOc1ccc(cc1)C(=O)NNC(=S)NC(=O)c1cc2cc(Br)ccc2oc1=O
STK760520
Synonyms: ethyl2-{[(2-oxo-2H-chromen-3-yl)carbonyl]amino}-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
Smiles: CCOC(=O)c1c(sc2c1CCCCCCCCCC2)NC(=O)c1cc2ccccc2oc1=O
STK675471
Synonyms: N-{[2-(1,3-benzodioxol-5-ylcarbonyl)hydrazinyl]carbonothioyl}-2-oxo-2H-chromene-3-carboxamide
Smiles: S=C(NC(=O)c1cc2ccccc2oc1=O)NNC(=O)c1ccc2c(c1)OCO2
STK760527
Synonyms: (4-bromophenyl)[3-butyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]methanone
Smiles: CCCCC1=NN(C(C1)(O)C(F)(F)F)C(=O)c1ccc(cc1)Br
STK675481
Synonyms: 2-(1,3-benzodioxol-5-yl)-1-(phenylcarbonyl)-1,2-dihydro-4H-3,1-benzoxazin-4-one
Smiles: O=C(N1C(OC(=O)c2c1cccc2)c1ccc2c(c1)OCO2)c1ccccc1
STK675482
Synonyms: 2-(1-oxo-4-phenylphthalazin-2(1H)-yl)ethylacetate
Smiles: CC(=O)OCCn1nc(c2ccccc2)c2c(c1=O)cccc2
STK760534
Synonyms: 3-(4-chlorophenyl)-2-(4-methoxyphenyl)-5-methyl-1,3-thiazolidin-4-one1,1-dioxide
Smiles: COc1ccc(cc1)C1N(c2ccc(cc2)Cl)C(=O)C(S1(=O)=O)C
STK760535
Synonyms: 3'-[4-(pentyloxy)phenyl]-4'H-spiro[indole-3,2'-[1,3]thiazolidine]-2,4'(1H)-dione
Smiles: CCCCCOc1ccc(cc1)N1C(=O)CSC21C(=O)Nc1c2cccc1
STK760540
Synonyms: 2-(2-methoxynaphthalen-1-yl)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole
Smiles: COc1ccc2c(c1C1NN=C(S1)c1ccc(cc1)C)cccc2
STK760547
Synonyms: 5-ethyl-4-hydroxy-4,5-dimethyl-3-(phenylamino)-1,3-oxazolidin-2-one
Smiles: CCC1(C)OC(=O)N(C1(C)O)Nc1ccccc1
STK760549
Synonyms: 4-hydroxy-4,5,5-trimethyl-3-(phenylamino)-1,3-oxazolidin-2-one
Smiles: O=C1OC(C(N1Nc1ccccc1)(C)O)(C)C
STK675492
Synonyms: 5,5-dimethyl-4-methylidene-3-(phenylamino)-1,3-oxazolidin-2-one
Smiles: O=C1OC(C(=C)N1Nc1ccccc1)(C)C
STK760550
Synonyms: 3-(2-hydroxyethyl)-5,6,6-trimethyl-3,6-dihydro-2H-1,3,4-oxadiazin-2-one
Smiles: OCCN1N=C(C)C(OC1=O)(C)C
STK760551
Synonyms: 4-hydroxy-4,5,5-trimethyl-3-[(4-methylphenyl)amino]-1,3-oxazolidin-2-one
Smiles: Cc1ccc(cc1)NN1C(=O)OC(C1(C)O)(C)C
STK760552
Synonyms: 5-ethyl-4-hydroxy-4,5-dimethyl-3-[(4-methylphenyl)amino]-1,3-oxazolidin-2-one
Smiles: CCC1(C)OC(=O)N(C1(C)O)Nc1ccc(cc1)C
STK760553
Synonyms: 4-hydroxy-4-methyl-3-(phenylamino)-1-oxa-3-azaspiro[4.5]decan-2-one
Smiles: O=C1OC2(C(N1Nc1ccccc1)(C)O)CCCCC2
STK760558
Synonyms: 2-hydroxy-2-methyl-N'-[(3E)-1-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene]propanehydrazide
Smiles: O=C(C(O)(C)C)N/N=C/1\c2ccccc2N(C1=O)C
STK760561
Synonyms: 2-(3-chlorophenyl)-3-{[(1E)-1-(4-methoxyphenyl)ethylidene]amino}-2,3-dihydroquinazolin-4(1H)-one
Smiles: COc1ccc(cc1)/C(=N/N1C(Nc2c(C1=O)cccc2)c1cccc(c1)Cl)/C
STK760562
Synonyms: 2-(2-chlorophenyl)-3-{[(1E)-1-(4-methoxyphenyl)ethylidene]amino}-2,3-dihydroquinazolin-4(1H)-one
Smiles: COc1ccc(cc1)/C(=N/N1C(Nc2c(C1=O)cccc2)c1ccccc1Cl)/C
STK675497
Synonyms: 2,1,3-benzothiadiazole-4-sulfonohydrazide
Smiles: NNS(=O)(=O)c1cccc2c1nsn2
STK760564
Synonyms: (8Z)-4-methyl-8-[2-(4-methylphenyl)hydrazinylidene]-2H-furo[2,3-h]chromene-2,9(8H)-dione
Smiles: Cc1ccc(cc1)N/N=C/1\Oc2c(C1=O)c1oc(=O)cc(c1cc2)C
STK675499
Synonyms: 4-{5-phenyl-4-[4-(phenylsulfanyl)phenyl]-1H-imidazol-2-yl}benzoicacid
Smiles: OC(=O)c1ccc(cc1)c1nc(c([nH]1)c1ccccc1)c1ccc(cc1)Sc1ccccc1
STK675501
Synonyms: 5-bromo-3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole
Smiles: Fc1ccc(cc1)c1[nH]c(nc1c1ccccc1)c1c[nH]c2c1cc(Br)cc2
STK760571
Synonyms: 4,5-bis(4-bromophenyl)-2-(2,5-dimethoxyphenyl)-1H-imidazole
Smiles: COc1ccc(c(c1)c1[nH]c(c(n1)c1ccc(cc1)Br)c1ccc(cc1)Br)OC
STK760577
Synonyms: (3-nitro-1H-pyrazol-1-yl)(phenyl)methanone
Smiles: [O-][N+](=O)c1ccn(n1)C(=O)c1ccccc1
STK760588
Synonyms: 1-{[(11Z)-11H-indeno[1,2-b]quinoxalin-11-ylideneamino]oxy}-3-phenylpropan-1-one
Smiles: O=C(O/N=C/1\c2nc3ccccc3nc2c2c1cccc2)CCc1ccccc1
STK760594
Synonyms: 5-(3,3-dimethyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)-2-ethoxyphenylacetate
Smiles: CCOc1ccc(cc1OC(=O)C)C1Nc2ccccc2NC2=C1C(=O)CC(C2)(C)C
STK675509
Synonyms: 4-benzyl-1-thioxo-2,4,7,8-tetrahydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one
Smiles: O=c1c2c3CCCc3sc2n2c(n1Cc1ccccc1)n[nH]c2=S
STK675513
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}methylidene]-5-(morpholin-4-ylmethyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: COc1ccc(cc1CSc1nc2c(s1)cccc2)/C=N/NC(=O)c1nnn(c1CN1CCOCC1)c1nonc1N
STK760597
Synonyms: [1-(1,3-benzodioxol-5-yl)-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl](4-chlorophenyl)methanone
Smiles: Clc1ccc(cc1)C(=O)N1CCc2c(C1c1ccc3c(c1)OCO3)[nH]c1c2cccc1
STK760598
Synonyms: (3,4-dichlorophenyl)[1-(4-nitrophenyl)-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl]methanone
Smiles: O=C(N1CCc2c(C1c1ccc(cc1)[N+](=O)[O-])[nH]c1c2cccc1)c1ccc(c(c1)Cl)Cl
STK760601
Synonyms: [1-(4-chlorophenyl)-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl](4-nitrophenyl)methanone
Smiles: Clc1ccc(cc1)C1N(CCc2c1[nH]c1c2cccc1)C(=O)c1ccc(cc1)[N+](=O)[O-]
STK675516
Synonyms: 8-bromo-10,10,10a-trimethyl-3,4,10,10a-tetrahydropyrimido[1,2-a]indol-2(1H)-one
Smiles: O=C1CCN2C(N1)(C)C(C)(C)c1c2ccc(c1)Br
STK760607
Synonyms: N'-[(2E)-butan-2-ylidene]-2-methylfuran-3-carbohydrazide
Smiles: CC/C(=N/NC(=O)c1ccoc1C)/C
STK675517
Synonyms: 7-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-5-nitroquinolin-8-ol
Smiles: COc1ccccc1N1CCN(CC1)Cc1cc([N+](=O)[O-])c2c(c1O)nccc2
STK675527
Synonyms: 3-(4-amino-1,2,5-oxadiazol-3-yl)-2-imino-1,3-thiazolidin-4-one
Smiles: O=C1CSC(=N)N1c1nonc1N
STK675529
Synonyms: 5-acetyl-4-ethyl-6-methyl-3,4-dihydropyrimidin-2(1H)-one
Smiles: CCC1NC(=O)NC(=C1C(=O)C)C
STK760617
Synonyms: (2Z,5E)-2-[(3-methylphenyl)imino]-5-[4-(2-methylpropoxy)benzylidene]-1,3-thiazolidin-4-one
Smiles: CC(COc1ccc(cc1)/C=C\1/S/C(=N\c2cccc(c2)C)/NC1=O)C
STK760620
Synonyms: 3-hydroxy-5-(4-methylphenyl)-4-[(4-methylphenyl)carbonyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: Cc1ccc(cc1)C1NC(=O)C(=C1C(=O)c1ccc(cc1)C)O
STK760626
Synonyms: 2-(4-fluorobenzyl)-5-(4-fluorophenyl)-2H-tetrazole
Smiles: Fc1ccc(cc1)Cn1nnc(n1)c1ccc(cc1)F
STK675534
Synonyms: N,N'-{[4-(naphthalen-1-ylmethoxy)phenyl]methanediyl}bis(3-phenylpropanamide)
Smiles: O=C(NC(c1ccc(cc1)OCc1cccc2c1cccc2)NC(=O)CCc1ccccc1)CCc1ccccc1
STK760637
Synonyms: 5-(2-phenylethyl)-3-(prop-2-en-1-ylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole
Smiles: C=CCSc1nnc2c(n1)n(CCc1ccccc1)c1c2cccc1
STK760643
Synonyms: N-(4-fluorophenyl)-N'-(2-{4-[(4-methylphenyl)sulfonyl]piperazin-1-yl}ethyl)ethanediamide
Smiles: Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)CCNC(=O)C(=O)Nc1ccc(cc1)F
STK675545
Synonyms: 5-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-7-nitroquinolin-8-ol
Smiles: COc1ccccc1N1CCN(CC1)Cc1cc([N+](=O)[O-])c(c2c1cccn2)O
STK760653
Synonyms: 2-(6-methoxy-1,5-dinitro-3-azabicyclo[3.3.1]non-6-en-3-yl)ethanol
Smiles: OCCN1CC2(CC=C(C(C1)(C2)[N+](=O)[O-])OC)[N+](=O)[O-]
STK675546
Synonyms: ethyl1-benzyl-6-bromo-5-hydroxy-2-methyl-4-(piperidin-1-ylmethyl)-1H-indole-3-carboxylate
Smiles: CCOC(=O)c1c(C)n(c2c1c(CN1CCCCC1)c(O)c(c2)Br)Cc1ccccc1
STK675547
Synonyms: [6-ethyl-4-methyl-2-(methylsulfanyl)-1,6-dihydropyrimidin-5-yl](phenyl)methanone
Smiles: CCC1NC(=NC(=C1C(=O)c1ccccc1)C)SC
STK675548
Synonyms: 5-[(4Z)-4-benzylidene-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]-2-chlorobenzoicacid
Smiles: CC1=NN(C(=O)/C/1=C\c1ccccc1)c1ccc(c(c1)C(=O)O)Cl
STK760655
Synonyms: 5-(2-fluorophenyl)-3-hydroxy-4-(phenylcarbonyl)-1-(pyridin-3-yl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: O=C(C1=C(O)C(=O)N(C1c1ccccc1F)c1cccnc1)c1ccccc1
STK760659
Synonyms: 2-cyclopropyl-5-fluoro-1H-isoindole-1,3(2H)-dione
Smiles: Fc1ccc2c(c1)C(=O)N(C2=O)C1CC1
STK760660
Synonyms: 2-cyclooctyl-5-fluoro-1H-isoindole-1,3(2H)-dione
Smiles: Fc1ccc2c(c1)C(=O)N(C2=O)C1CCCCCCC1
STK760661
Synonyms: {[(4E)-6,7-dihydro-2,1,3-benzoxadiazol-4(5H)-ylideneamino]oxy}(4-methoxyphenyl)methanone
Smiles: COc1ccc(cc1)C(=O)O/N=C/1\CCCc2c1non2
STK760664
Synonyms: 2-(1,3-benzodioxol-5-yl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: O=c1c2cccc3c2c(c(=O)n1c1ccc2c(c1)OCO2)ccc3
STK675555
Synonyms: 5-(4-chlorophenyl)-6-(4-methoxyphenyl)-7-phenyl-2,3,6,7-tetrahydropyrrolo[3,4-e][1,4]diazepin-8(1H)-one
Smiles: COc1ccc(cc1)C1C2=C(C(=O)N1c1ccccc1)NCCN=C2c1ccc(cc1)Cl
STK760666
Synonyms: 2-(4-methoxyphenyl)-5-(morpholin-4-yl)-1,3-oxazole-4-carbonitrile
Smiles: N#Cc1nc(oc1N1CCOCC1)c1ccc(cc1)OC
STK675558
Synonyms: ethyl5-(acetyloxy)-6-bromo-2-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-1-methyl-1H-indole-3-carboxylate
Smiles: OCCN1CCN(CC1)Cc1n(C)c2c(c1C(=O)OCC)cc(c(c2)Br)OC(=O)C
STK675560
Synonyms: 6-bromo-5-hydroxy-1-methyl-2-[(2-methyl-1H-imidazol-1-yl)methyl]-1H-indole-3-carboxylicacid
Smiles: Brc1cc2n(C)c(c(c2cc1O)C(=O)O)Cn1ccnc1C
STK760668
Synonyms: 2-({5-[(methylsulfonyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)-N,N-diphenylacetamide
Smiles: O=C(N(c1ccccc1)c1ccccc1)CSc1nnc(s1)NS(=O)(=O)C
STK675562
Synonyms: (1S,2S,5R)-2-{3-[hydroxy(phenyl)methyl]-4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}-6,8-dioxabicyclo[3.2.1]octan-4-one(non-preferredname)
Smiles: O=C1C[C@@H]([C@@H]2O[C@H]1OC2)n1nc(n(c1=S)c1ccccc1)C(c1ccccc1)O
STK760669
Synonyms: (1S,2S,5R)-2-(4-cyclohexyl-5-thioxo-4,5-dihydro-1H-tetrazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one(non-preferredname)
Smiles: O=C1C[C@@H]([C@@H]2O[C@H]1OC2)n1nnn(c1=S)C1CCCCC1
STK760670
Synonyms: (1S,2S,5R)-2-(4-benzyl-5-thioxo-4,5-dihydro-1H-tetrazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one(non-preferredname)
Smiles: O=C1C[C@@H]([C@@H]2O[C@H]1OC2)n1nnn(c1=S)Cc1ccccc1
STK675565
Synonyms: 5-(bromomethyl)-N-(3-chlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
Smiles: BrCC1CN=C(S1)Nc1cccc(c1)Cl
STK760683
Synonyms: 5-amino-3-[(Z)-1-cyano-2-{3-ethoxy-4-[(4-fluorobenzyl)oxy]phenyl}ethenyl]-1-phenyl-1H-pyrazole-4-carbonitrile
Smiles: CCOc1cc(ccc1OCc1ccc(cc1)F)/C=C(/c1nn(c(c1C#N)N)c1ccccc1)\C#N
STK760706
Synonyms: ethyl2-[2-amino-4-(4-chlorophenyl)-3-cyano-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Smiles: CCOC(=O)c1c(sc2c1CCCCC2)N1C(=C(C#N)C(C2=C1CCCC2=O)c1ccc(cc1)Cl)N
STK760707
Synonyms: 2-oxo-N-({2-[(3,4,5-trimethoxyphenyl)carbonyl]hydrazinyl}carbonothioyl)-2H-chromene-3-carboxamide
Smiles: COc1cc(cc(c1OC)OC)C(=O)NNC(=S)NC(=O)c1cc2ccccc2oc1=O
STK675569
Synonyms: (1Z)-1-{[5-(4-bromophenyl)furan-2-yl]methylidene}-6-methyl-4-thioxo-4,5-dihydrofuro[3,4-c]pyridin-3(1H)-one
Smiles: Brc1ccc(cc1)c1ccc(o1)/C=C/1\OC(=O)c2c1cc(C)[nH]c2=S
STK760714
Synonyms: (3-amino-1-benzofuran-2-yl)(5-methoxy-2-methyl-1-benzofuran-3-yl)methanone
Smiles: COc1ccc2c(c1)c(c(o2)C)C(=O)c1oc2c(c1N)cccc2
STK760716
Synonyms: 4-({[4-(1,3-benzothiazol-2-yl)phenyl]amino}methyl)-N,N-dimethylaniline
Smiles: CN(c1ccc(cc1)CNc1ccc(cc1)c1nc2c(s1)cccc2)C
STK675573
Synonyms: 1-[(4-methylphenyl)sulfonyl]-2-phenylpropan-2-ol
Smiles: Cc1ccc(cc1)S(=O)(=O)CC(c1ccccc1)(O)C
STK675576
Synonyms: 6-(4-fluorophenyl)-5,7-diphenyl-2,3,6,7-tetrahydropyrrolo[3,4-e][1,4]diazepin-8(1H)-one
Smiles: Fc1ccc(cc1)C1C2=C(C(=O)N1c1ccccc1)NCCN=C2c1ccccc1
STK760720
Synonyms: 2-methoxy-4-[(4-methylpiperidin-1-yl)carbonothioyl]phenylnaphthalene-1-carboxylate
Smiles: COc1cc(ccc1OC(=O)c1cccc2c1cccc2)C(=S)N1CCC(CC1)C
STK760735
Synonyms: 1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone
Smiles: CC(=O)N1CCN(CC1)c1nc2c(s1)cc(cc2)[N+](=O)[O-]
STK760742
Synonyms: ethyl4-{[(4-fluorophenyl)carbonyl]carbamothioyl}piperazine-1-carboxylate
Smiles: CCOC(=O)N1CCN(CC1)C(=S)NC(=O)c1ccc(cc1)F
STK760744
Synonyms: (4E)-2-(3-chlorophenyl)-4-{[5-(2,4-dichlorophenyl)furan-2-yl]methylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: Clc1ccc(c(c1)Cl)c1ccc(o1)/C=C/1\C(=NN(C1=O)c1cccc(c1)Cl)C
STK760747
Synonyms: (2Z)-2-{[5-(2,4-difluorophenyl)furan-2-yl]methylidene}-1-benzothiophen-3(2H)-one
Smiles: Fc1ccc(c(c1)F)c1ccc(o1)/C=C/1\Sc2c(C1=O)cccc2
STK675591
Synonyms: 4-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]benzonitrile
Smiles: N#Cc1ccc(cc1)c1nc(c([nH]1)c1cccc(c1)I)c1cccc(c1)I
STK760752
Synonyms: 2,2'-[(cyclohexylimino)dimethanediyl]bis(5-chloro-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione)
Smiles: ClC1=CCC2C(C1)C(=O)N(C2=O)CN(C1CCCCC1)CN1C(=O)C2C(C1=O)CC(=CC2)Cl
STK675594
Synonyms: 2-chloro-5-[(4Z)-4-(3-ethoxy-4-hydroxy-5-iodobenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoicacid
Smiles: CCOc1cc(/C=C\2/C(=NN(C2=O)c2ccc(c(c2)C(=O)O)Cl)C)cc(c1O)I