FULL DB

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

STK557095
Synonyms: 1-[(2-chlorobenzyl)sulfanyl]-4-(3-chlorophenyl)-7,7-dimethyl-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: Clc1cccc(c1)n1c(=O)c2c3CC(C)(C)OCc3sc2n2c1nnc2SCc1ccccc1Cl

STK557096
Synonyms: 7-(4-chlorobenzyl)-1,3-dimethyl-8-[(2E)-2-(1-phenylethylidene)hydrazinyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1ccc(cc1)Cn1c(N/N=C(/c2ccccc2)\C)nc2c1c(=O)n(c(=O)n2C)C

STK557098
Synonyms: 7-methoxy-3-(pyridin-3-ylmethyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: COc1ccc2c(c1)[nH]c1c2ncn(c1=O)Cc1cccnc1

STK557100
Synonyms: 6,6-diethyl-12-propyl-9-(propylsulfanyl)-6,12-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Smiles: CCCSc1nnc2n1c(=O)c1c(n2CCC)c2ccccc2CC1(CC)CC

STK557101
Synonyms: 6-(3-bromophenyl)-3-cyclohexyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: Brc1cccc(c1)C1=Nn2c(SC1)nnc2C1CCCCC1

STK557103
Synonyms: N~4~-(3-chlorophenyl)-N~2~-(3-methoxypropyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: COCCCNc1nc(Nc2cccc(c2)Cl)c(c(n1)N)[N+](=O)[O-]

STK557104
Synonyms: ethyl3-{[(2E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino}-5-chloro-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)/C=C/c1ccc3c(c1)OCO3)cc(cc2)Cl

STK557105
Synonyms: 2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(diethylamino)phenyl]acetamide
Smiles: CCN(c1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)Cl)CC

STK557106
Synonyms: 2-{[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-chlorophenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccc(cc1)Br)N/N=C/c1ccc(cc1)Cl

STK557107
Synonyms: (6E)-5-imino-6-[4-(methylsulfanyl)benzylidene]-2-[2-oxo-2-(piperidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CSc1ccc(cc1)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCCC1

STK557108
Synonyms: 2-{[6,6-dimethyl-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide
Smiles: CCCSc1nc(SCC(=O)Nc2cccc3c2cccc3)c2c(n1)sc1c2CC(OC1)(C)C

STK557109
Synonyms: 3-butyl-2,5-diphenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: CCCCC1N(OC2C1C(=O)N(C2=O)c1ccccc1)c1ccccc1

STK557113
Synonyms: 2-(2,6-dimethylmorpholin-4-yl)-N-(2-methoxyphenyl)-5-nitropyrimidine-4,6-diamine
Smiles: COc1ccccc1Nc1nc(nc(c1[N+](=O)[O-])N)N1CC(C)OC(C1)C

STK557114
Synonyms: 3-(2-chlorophenyl)-5-(3,4-dichlorophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: O=C1N(c2ccc(c(c2)Cl)Cl)C(=O)C2C1ON(C2c1ccccc1Cl)c1ccccc1

STK557115
Synonyms: 6-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: COc1ccc(cc1)c1nnc2n1N=C(CS2)c1cc(OC)ccc1OC

STK557116
Synonyms: 6-(3-bromophenyl)-3-(furan-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: Brc1cccc(c1)C1=Nn2c(SC1)nnc2c1ccco1

STK557118
Synonyms: N~2~-(3-methoxyphenyl)-5-nitro-N~4~-(tetrahydrofuran-2-ylmethyl)pyrimidine-2,4,6-triamine
Smiles: COc1cccc(c1)Nc1nc(NCC2CCCO2)c(c(n1)N)[N+](=O)[O-]

STK557119
Synonyms: 2-({[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole
Smiles: Cc1ccc(cc1)n1c(SCc2nc3c([nH]2)cccc3)nnc1c1ccc(cc1)Cl

STK557120
Synonyms: N-(3-chloro-2-methylphenyl)-2-{[3-(furan-2-ylmethyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1C)Cl)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccco1)CCCCC3

STK557121
Synonyms: 5-(4-fluorophenyl)-3-(2-hydroxy-3-methoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: COc1cccc(c1O)C1C2C(=O)N(C(=O)C2ON1c1ccccc1)c1ccc(cc1)F

STK557122
Synonyms: N-(3-chloro-4-methoxyphenyl)-2-[(4-oxo-3-phenyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]acetamide
Smiles: COc1ccc(cc1Cl)NC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1)CCCCC3

STK557123
Synonyms: 6-ethyl-6-methyl-12-(3-methylbutyl)-9-[(3-methylbutyl)sulfanyl]-6,12-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Smiles: CCC1(C)Cc2ccccc2c2c1c(=O)n1c(n2CCC(C)C)nnc1SCCC(C)C

STK557125
Synonyms: N-(3-methoxypropyl)-5-(morpholin-4-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-amine
Smiles: COCCCNc1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCOCC1

STK557126
Synonyms: N~4~-cyclohexyl-N~2~-[3-(dimethylamino)propyl]-5-nitropyrimidine-2,4,6-triamine
Smiles: CN(CCCNc1nc(NC2CCCCC2)c(c(n1)N)[N+](=O)[O-])C

STK557127
Synonyms: 8-{[2-(dimethylamino)ethyl]amino}-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CN(CCNc1nc2c(n1CC(COc1ccccc1C)O)c(=O)n(c(=O)n2C)C)C

STK557128
Synonyms: 6-[(5Z)-5-({2-[(2-hydroxy-2-phenylethyl)amino]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoicacid
Smiles: OC(=O)CCCCCN1C(=S)S/C(=C\c2c(NCC(c3ccccc3)O)nc3n(c2=O)cccc3)/C1=O

STK557129
Synonyms: (6Z)-2-(benzylsulfanyl)-6-({1-[3-(2,3-dimethylphenoxy)propyl]-1H-indol-3-yl}methylidene)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1cn(c2c1cccc2)CCCOc1cccc(c1C)C)SCc1ccccc1

STK557130
Synonyms: 3-[({[(2E)-1,7,7-trimethylbicyclo[2.2.1]hept-2-ylidene]amino}oxy)carbonyl]-2H-chromen-2-one
Smiles: O=C(c1cc2ccccc2oc1=O)O/N=C/1\CC2C(C1(C)CC2)(C)C

STK557131
Synonyms: methylN-{[4-(pentafluorophenoxy)phenyl]carbamoyl}-D-tryptophanate
Smiles: COC(=O)[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)Nc1ccc(cc1)Oc1c(F)c(F)c(c(c1F)F)F

STK557132
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-{3-[(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}methylidene]-5-[(4-fluorophenoxy)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: COc1ccc(cc1CSC1=NCCS1)/C=N/NC(=O)c1nnn(c1COc1ccc(cc1)F)c1nonc1N

STK557133
Synonyms: N-(3-chlorophenyl)-2-[3-(3-chlorophenyl)-6,6-dimethyl-2,4-dioxo-3,4,5,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1(6H)-yl]acetamide
Smiles: Clc1cccc(c1)NC(=O)Cn1c2sc3c(c2c(=O)n(c1=O)c1cccc(c1)Cl)CC(OC3)(C)C

STK557134
Synonyms: 3-ethyl-2-{[2-oxo-2-(thiophen-2-yl)ethyl]sulfanyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: CCn1c(SCC(=O)c2cccs2)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK557135
Synonyms: 3-methyl-7-{[3-(4-methylpiperazin-1-yl)propyl]amino}-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione
Smiles: CN1CCN(CC1)CCCNc1cc2oc3cc(C)ccc3[nH]c2c2c1c(=O)c1c(c2=O)cccc1

STK557136
Synonyms: (5Z)-5-{[5-(2,4-dichlorophenyl)furan-2-yl]methylidene}-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4(5H)-one
Smiles: CC1CCN(CC1)C1=NC(=O)/C(=C/c2ccc(o2)c2ccc(cc2Cl)Cl)/S1

STK557137
Synonyms: 2-(azepan-1-yl)-5-nitro-6-(pyrrolidin-1-yl)pyrimidin-4-amine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCCC1)N1CCCCCC1

STK557138
Synonyms: (2Z)-2-cyano-2-[(5E)-5-(2,3-dimethoxybenzylidene)-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-(3-methylphenyl)ethanamide
Smiles: N#C/C(=c\1/s/c(=C/c2cccc(c2OC)OC)/c(=O)n1c1ccccc1C)/C(=O)Nc1cccc(c1)C

STK557139
Synonyms: 6-(2,5-dimethoxyphenyl)-3-(3-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: COc1ccc(c(c1)C1=Nn2c(SC1)nnc2c1cccc(c1)C)OC

STK557140
Synonyms: ethyl3-{[hydroxy(diphenyl)acetyl]amino}-5,6-dimethoxy-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)C(c1ccccc1)(c1ccccc1)O)cc(c(c2)OC)OC

STK557141
Synonyms: (6E)-6-{[5-(3,4-dichlorophenyl)furan-2-yl]methylidene}-5-imino-2-[2-oxo-2-(piperidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C(N1CCCCC1)Cc1nn2c(=NC(=O)/C(=C/c3ccc(o3)c3ccc(c(c3)Cl)Cl)/C2=N)s1

STK557142
Synonyms: 2,5-diphenyl-3-(pyridin-4-yl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: O=C1N(c2ccccc2)C(=O)C2C1C(c1ccncc1)N(O2)c1ccccc1

STK557143
Synonyms: 2-(4-methylpiperazin-1-yl)-5-nitro-6-(pyrrolidin-1-yl)pyrimidin-4-amine
Smiles: CN1CCN(CC1)c1nc(N)c(c(n1)N1CCCC1)[N+](=O)[O-]

STK557144
Synonyms: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(2,4-dimethylphenyl)quinazolin-4(3H)-one
Smiles: Cc1ccc(c(c1)C)n1c(/C=C/c2ccc3c(c2)OCO3)nc2c(c1=O)cccc2

STK557145
Synonyms: 1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanol
Smiles: Clc1ccc(c(c1)Cl)C(Cn1cncn1)O

STK557146
Synonyms: 3-methyl-7-{[3-(4-methylpiperidin-1-yl)propyl]amino}-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione
Smiles: CC1CCN(CC1)CCCNc1cc2oc3cc(C)ccc3[nH]c2c2c1c(=O)c1c(c2=O)cccc1

STK557147
Synonyms: 6-(4-chlorophenyl)-3-(3-ethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: CCOc1cccc(c1)c1nnc2n1N=C(CS2)c1ccc(cc1)Cl

STK557149
Synonyms: 3-(3-chlorophenyl)-1-[2-(4-chlorophenyl)-2-oxoethyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Smiles: Clc1ccc(cc1)C(=O)Cn1c2sc3c(c2c(=O)n(c1=O)c1cccc(c1)Cl)CCCC3

STK557150
Synonyms: ethyl(1'S,2'S)-2'-(furan-2-yl)-1,3-dioxo-1,1',2',3-tetrahydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1'-carboxylate
Smiles: CCOC(=O)[C@H]1N2c3ccccc3C=CC2[C@@]2([C@@H]1c1ccco1)C(=O)c1c(C2=O)cccc1

STK557151
Synonyms: N-[2,2-dimethyl-5-(pyrrolidin-1-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]ethane-1,2-diamine
Smiles: NCCNc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCCC1

STK557154
Synonyms: ethyl3-({[1-(4-methylphenyl)cyclopropyl]carbonyl}amino)-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)C1(CC1)c1ccc(cc1)C)cccc2

STK557155
Synonyms: 2,3-dimethoxy-6-[5-(4-methylphenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]benzoicacid
Smiles: COc1ccc(c(c1OC)C(=O)O)C1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)C)c1ccccc1

STK557156
Synonyms: 3-(furan-2-yl)-6-(naphthalen-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: c1coc(c1)c1nnc2n1N=C(CS2)c1ccc2c(c1)cccc2

STK557157
Synonyms: 1-[(2-chlorobenzyl)sulfanyl]-4-(4-chlorophenyl)-7-methyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: CC1CCc2c(C1)c1c(s2)n2c(SCc3ccccc3Cl)nnc2n(c1=O)c1ccc(cc1)Cl

STK557161
Synonyms: 7-methoxy-4-(morpholin-4-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: COc1ncnc2c1sc1c2c2CCCc2c(n1)N1CCOCC1

STK557162
Synonyms: (8S,8aR,11aS,11bS)-10-(4-acetylphenyl)-9,11-dioxo-N-phenyl-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide
Smiles: O=C([C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1C=Cc1c2cccc1)c1ccc(cc1)C(=O)C)Nc1ccccc1

STK557164
Synonyms: 3-[6-(4-ethylphenoxy)hexyl]-2-(4-methoxyphenyl)quinazolin-4(3H)-one
Smiles: CCc1ccc(cc1)OCCCCCCn1c(nc2c(c1=O)cccc2)c1ccc(cc1)OC

STK557165
Synonyms: N-(2-methoxyethyl)-6,6-dimethyl-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
Smiles: CCCSc1nc(NCCOC)c2c(n1)sc1c2CC(OC1)(C)C

STK557166
Synonyms: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-{[3-(4-methylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(c(c1)C(F)(F)F)Cl)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)C

STK557167
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-N'-[(E)-pyridin-3-ylmethylidene]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CN(Cc1c(nnn1c1nonc1N)C(=O)N/N=C/c1cccnc1)C

STK557169
Synonyms: (6Z)-6-[3,5-dimethoxy-4-(2-phenoxyethoxy)benzylidene]-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1cc(cc(c1OCCOc1ccccc1)OC)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK557171
Synonyms: 3-(2,4-dichlorophenyl)-7-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
Smiles: Clc1ccc(c(c1)Cl)C1=NOC2(C1)CC(=O)N(C2=O)c1ccccc1

STK557172
Synonyms: 2-{[5-(benzylsulfanyl)-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-N-(2-methylphenyl)acetamide
Smiles: O=C(Nc1ccccc1C)CSc1nnc2n1c(SCc1ccccc1)nc1c2c2CC(C)(C)OCc2s1

STK557173
Synonyms: 3-(2-chloro-4-nitrophenyl)-2-[(E)-2-(4-nitrophenyl)ethenyl]quinazolin-4(3H)-one
Smiles: O=c1n(c(/C=C/c2ccc(cc2)[N+](=O)[O-])nc2c1cccc2)c1ccc(cc1Cl)[N+](=O)[O-]

STK557174
Synonyms: (6Z)-5-imino-6-(4-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}benzylidene)-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: C=CCc1ccccc1OCCOc1ccc(cc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK557175
Synonyms: N-(9-ethyl-9H-carbazol-3-yl)-2-{[3-(4-methylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide
Smiles: CCn1c2ccc(cc2c2c1cccc2)NC(=O)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)C

STK557177
Synonyms: methyl3-({3-[4-(2-fluorophenyl)piperazin-1-yl]propanoyl}amino)-6-methoxy-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CCN1CCN(CC1)c1ccccc1F)ccc(c2)OC

STK557178
Synonyms: 2-(benzylsulfanyl)-N-(2-methoxyethyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
Smiles: COCCNc1nc(SCc2ccccc2)nc2c1c1CC(C)(C)OCc1s2

STK557179
Synonyms: ethylN-({[3-(4-ethoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)glycinate
Smiles: CCOC(=O)CNC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)OCC)CCCC3

STK557180
Synonyms: 5-ethyl-2-hydrazinyl-3,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
Smiles: CCC1(C)Cc2ccccc2c2c1c(=O)n(c(n2)NN)C

STK557181
Synonyms: ethyl1-(4-methylphenyl)-2-[(phenylcarbonyl)amino]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)c2ccccc2)n(c2c1nc1ccccc1n2)c1ccc(cc1)C

STK557182
Synonyms: 1-(3,4-dichlorophenyl)-2-(thiophen-2-yl)-1H-imidazo[4,5-b]quinoxaline
Smiles: Clc1cc(ccc1Cl)n1c(nc2c1nc1ccccc1n2)c1cccs1

STK557184
Synonyms: N-[4-(butan-2-yl)phenyl]-2-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)c1nnc(n1c1ccc(cc1)Cl)SCC(=O)Nc1ccc(cc1)C(CC)C

STK557186
Synonyms: 2-(4-chlorophenyl)-3-{2-[2-(3-methylphenoxy)ethoxy]ethyl}quinazolin-4(3H)-one
Smiles: Clc1ccc(cc1)c1nc2ccccc2c(=O)n1CCOCCOc1cccc(c1)C

STK557187
Synonyms: N-(3-chloro-2-methylphenyl)-2-{[3-(4-methylphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1C)Cl)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccc(cc1)C)CCCCC3

STK557188
Synonyms: (5Z)-5-{[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene}-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4(5H)-one
Smiles: CN1CCN(CC1)C1=NC(=O)/C(=C/c2ccc(o2)c2ccc(cc2[N+](=O)[O-])Cl)/S1

STK557189
Synonyms: (6Z)-6-{[1-(2-fluorobenzyl)-1H-indol-3-yl]methylidene}-5-imino-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C(N1CCCC1)Cc1nn2c(=NC(=O)/C(=C\c3cn(c4c3cccc4)Cc3ccccc3F)/C2=N)s1

STK557190
Synonyms: 3-(3-ethoxyphenyl)-6-(thiophen-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: CCOc1cccc(c1)c1nnc2n1nc(s2)c1cccs1

STK557191
Synonyms: 4-{[(8R,8aR,11aS,11bS)-10-(3-nitrophenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinolin-8-yl]carbonyl}phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C(=O)[C@@H]1N2C=Cc3c([C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1cccc(c1)[N+](=O)[O-])cccc3

STK557192
Synonyms: N'-[(E)-(3-bromophenyl)methylidene]-2-{[4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)[N+](=O)[O-])N/N=C/c1cccc(c1)Br

STK557193
Synonyms: 2-(azepan-1-yl)-6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine
Smiles: CN1CCN(CC1)c1nc(nc(c1[N+](=O)[O-])N)N1CCCCCC1

STK557194
Synonyms: 2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E,2E)-3-phenylprop-2-en-1-ylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Cl)N/N=C/C=C/c1ccccc1

STK557195
Synonyms: 3-[4-(4-tert-butyl-2-methylphenoxy)butyl]-2-(4-methoxyphenyl)quinazolin-4(3H)-one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCOc1ccc(cc1C)C(C)(C)C

STK557197
Synonyms: diethyl3-methyl-3'-nitro-5-(phenylamino)biphenyl-2,6-dicarboxylate
Smiles: CCOC(=O)c1c(Nc2ccccc2)cc(c(c1c1cccc(c1)[N+](=O)[O-])C(=O)OCC)C

STK557198
Synonyms: N~4~-(3-chlorophenyl)-N~2~-[3-(dimethylamino)propyl]-5-nitropyrimidine-2,4,6-triamine
Smiles: CN(CCCNc1nc(Nc2cccc(c2)Cl)c(c(n1)N)[N+](=O)[O-])C

STK557199
Synonyms: 2-[(4-amino-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1nc(N)c2c(n1)nc1c(c2)CCCC1

STK557203
Synonyms: 2-[(4-oxo-3-phenyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
Smiles: O=C(Nc1ccccc1C(F)(F)F)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1)CCCCC3

STK557204
Synonyms: 2-[(4-bromobenzyl)sulfanyl]-3-ethyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one
Smiles: CCn1c(SCc2ccc(cc2)Br)nc2c(c1=O)cc1c(n2)CCCC1

STK557205
Synonyms: 5-benzyl-3-(4-tert-butylphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: O=C1N(Cc2ccccc2)C(=O)C2C1C(c1ccc(cc1)C(C)(C)C)N(O2)c1ccccc1

STK557206
Synonyms: (2Z)-2-cyano-2-[(5E)-5-(4-methylbenzylidene)-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methylphenyl)ethanamide
Smiles: N#C/C(=c\1/s/c(=C/c2ccc(cc2)C)/c(=O)n1c1ccccc1C)/C(=O)Nc1ccccc1C

STK557207
Synonyms: 2-(4-methylpiperazin-1-yl)-5-nitro-6-(piperidin-1-yl)pyrimidin-4-amine
Smiles: CN1CCN(CC1)c1nc(N2CCCCC2)c(c(n1)N)[N+](=O)[O-]

STK557208
Synonyms: 2-[(4-methylphenoxy)methyl]-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclopentane]
Smiles: Cc1ccc(cc1)OCc1nn2c(n1)c1c(nc2)c2ccccc2CC21CCCC2

STK557209
Synonyms: ethyl5,6-dimethoxy-3-{[(2E)-2,3,4,5,5-pentachloropenta-2,4-dienoyl]amino}-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)/C(=C(/C(=C(Cl)Cl)Cl)\Cl)/Cl)cc(c(c2)OC)OC

STK557210
Synonyms: (3aR,4S,8aR,8bS)-2-(4-bromophenyl)-4-[(4-methoxyphenyl)carbonyl]hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione
Smiles: COc1ccc(cc1)C(=O)[C@H]1N2CCC[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1)Br

STK557211
Synonyms: 3-(2,4-dichlorophenyl)-5-(4-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Clc1ccc(c(c1)Cl)C1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)[N+](=O)[O-])c1ccccc1

STK557212
Synonyms: 2-({[4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole
Smiles: Brc1ccc(cc1)n1c(SCc2nc3c([nH]2)cccc3)nnc1c1ccncc1

STK557213
Synonyms: 2,2-dimethyl-N-(1-propyl-1H-pyrazolo[3,4-b]quinolin-3-yl)propanamide
Smiles: CCCn1nc(c2c1nc1ccccc1c2)NC(=O)C(C)(C)C

STK557214
Synonyms: 11-(ethylsulfanyl)-1-(pentylsulfanyl)-5H-spiro[benzo[h][1,2,4]triazolo[4,3-c]quinazoline-4,1'-cyclopentane]
Smiles: CCCCCSc1nnc2n1c(SCC)nc1c2C2(CCCC2)Cc2c1cccc2

STK557215
Synonyms: 4-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-N-(4-methoxyphenyl)-4-oxobutanamide
Smiles: COc1ccc(cc1)NC(=O)CCC(=O)N/N=C/c1c[nH]c2c1cccc2

STK557216
Synonyms: (6Z)-6-{3-chloro-4-[(3-methylbenzyl)oxy]benzylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: Cc1cccc(c1)COc1ccc(cc1Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK557217
Synonyms: 4-({(4aS,4bR,7aS,8R)-5,7-dioxo-6-[2-(trifluoromethyl)phenyl]-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazin-8-yl}carbonyl)phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C(=O)[C@@H]1N2N=CC=C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccccc1C(F)(F)F

STK557218
Synonyms: (2Z)-2-[(5E)-5-(2-chlorobenzylidene)-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-phenylethanamide
Smiles: N#C/C(=c\1/s/c(=C/c2ccccc2Cl)/c(=O)n1c1ccccc1C)/C(=O)Nc1ccccc1

STK557221
Synonyms: 2-(benzylsulfanyl)-6,6-dimethyl-4-(prop-2-en-1-ylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Smiles: C=CCSc1nc(SCc2ccccc2)nc2c1c1CC(C)(C)OCc1s2

STK557223
Synonyms: N-(3-chlorophenyl)-2-{[3-(3-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: COc1cccc(c1)n1c(SCC(=O)Nc2cccc(c2)Cl)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK557224
Synonyms: 2-{[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E)-1-(naphthalen-2-yl)ethylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccc(cc1)Br)N/N=C(/c1ccc2c(c1)cccc2)\C

STK557225
Synonyms: N~4~-cyclohexyl-N~2~-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: COc1ccc(cc1)Nc1nc(N)c(c(n1)NC1CCCCC1)[N+](=O)[O-]

STK557226
Synonyms: 2-{[2,2-dimethyl-10-(methylsulfanyl)-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]amino}ethanol
Smiles: OCCNc1nc(SC)nc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1

STK557227
Synonyms: N-(2-methoxyethyl)-2,2-dimethyl-5-(pyrrolidin-1-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-amine
Smiles: COCCNc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCCC1

STK557229
Synonyms: 4-(2-methylpropyl)-9-(methylsulfanyl)-7-(morpholin-4-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: CSc1nc(N2CCOCC2)c2c(n1)c1c(s2)nc(c2c1CCC2)CC(C)C

STK557230
Synonyms: (4aR,4bS,7aR,8S)-6-(3,5-dichlorophenyl)-8-(2,2-dimethylpropanoyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: Clc1cc(Cl)cc(c1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)C(C)(C)C)N=CC=C1

STK557231
Synonyms: 2-{[2-(benzylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(2-phenylethyl)acetamide
Smiles: O=C(CSc1nc(SCc2ccccc2)nc2c1c1CC(C)(C)OCc1s2)NCCc1ccccc1

STK557232
Synonyms: 3-[(2,4-dichlorobenzyl)sulfanyl]-10-ethyl-10-methyl-5-(propylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCc1ccc(cc1Cl)Cl)nn2)CC(OC3)(C)CC

STK557233
Synonyms: (6Z)-5-imino-6-{4-[(3-methylbenzyl)oxy]benzylidene}-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: Cc1cccc(c1)COc1ccc(cc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK557235
Synonyms: 3-(2-chloro-4-nitrophenyl)-6-iodo-2-{(E)-2-[4-(propan-2-yl)phenyl]ethenyl}quinazolin-4(3H)-one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)/C=C/c1ccc(cc1)C(C)C)c1ccc(cc1Cl)[N+](=O)[O-]

STK557236
Synonyms: 3-(2-chloroquinolin-3-yl)-5-(4-fluorophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Fc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1cc2ccccc2nc1Cl

STK557237
Synonyms: N,N-diethyl-N'-[4-(morpholin-4-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]ethane-1,2-diamine
Smiles: CCN(CCNc1ncnc2c1sc1c2c2CCCc2c(n1)N1CCOCC1)CC

STK557240
Synonyms: 2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E)-1-(4-methylphenyl)ethylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Cl)N/N=C(/c1ccc(cc1)C)\C

STK557243
Synonyms: N-(4-bromo-2-fluorophenyl)-2-{[3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1F)Br)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)Cl

STK557245
Synonyms: (2Z)-2-cyano-2-[(5E)-5-(furan-2-ylmethylidene)-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-phenylethanamide
Smiles: N#C/C(=c\1/s/c(=C/c2ccco2)/c(=O)n1c1ccccc1C)/C(=O)Nc1ccccc1

STK557247
Synonyms: 7-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
Smiles: Clc1ccc(cc1)N1C(=O)CC2(C1=O)ON=C(C2)c1ccc(cc1Cl)Cl

STK557249
Synonyms: (4Z)-4-(3-chloro-4-nitrobenzylidene)-2-(4-fluorophenyl)-1,3-oxazol-5(4H)-one
Smiles: Fc1ccc(cc1)C1=N/C(=C\c2ccc(c(c2)Cl)[N+](=O)[O-])/C(=O)O1

STK557250
Synonyms: N-(3-chlorophenyl)-2-[(3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]acetamide
Smiles: CCn1c(SCC(=O)Nc2cccc(c2)Cl)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK557251
Synonyms: 4-{[(4aS,4bR,7aS,8R)-6-(3-fluorophenyl)-5,7-dioxo-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazin-8-yl]carbonyl}phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C(=O)[C@@H]1N2N=CC=C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1cccc(c1)F

STK557252
Synonyms: (2'S,3S,3'S,10b'R)-2'-[(2-chlorophenyl)carbonyl]-3'-(2,2-dimethylpropanoyl)-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: Clc1ccccc1C(=O)[C@@H]1[C@H](N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2)C(=O)C(C)(C)C

STK557253
Synonyms: (6aR,6bS,9aR,10S)-8-(4-fluorophenyl)-10-(furan-2-ylcarbonyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: Fc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=Cc2c1cccc2)C(=O)c1ccco1

STK557254
Synonyms: 6-(4-ethylpiperazin-1-yl)-N~2~,N~2~-dimethyl-5-nitropyrimidine-2,4-diamine
Smiles: CCN1CCN(CC1)c1nc(nc(c1[N+](=O)[O-])N)N(C)C

STK557256
Synonyms: 6-(4-ethylpiperazin-1-yl)-5-nitro-2-(pyrrolidin-1-yl)pyrimidin-4-amine
Smiles: CCN1CCN(CC1)c1nc(nc(c1[N+](=O)[O-])N)N1CCCC1

STK557257
Synonyms: 1-(5-methoxy-1H-indol-3-yl)-2-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}ethanol
Smiles: COc1ccc2c(c1)c(c[nH]2)C(CN1CCN(CC1)C/C=C/c1ccccc1)O

STK557260
Synonyms: (8S,8aR,11aS,11bS)-10-(4-nitrophenyl)-8-(phenylcarbonyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Smiles: O=C([C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1C=Cc1c2cccc1)c1ccc(cc1)[N+](=O)[O-])c1ccccc1

STK557261
Synonyms: (6Z)-6-{4-[(2-fluorobenzyl)oxy]-3-methoxybenzylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1cc(ccc1OCc1ccccc1F)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK557263
Synonyms: 6,6-dimethyl-4-[(3-methylbutyl)sulfanyl]-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Smiles: CCCSc1nc(SCCC(C)C)c2c(n1)sc1c2CC(OC1)(C)C

STK557264
Synonyms: 9-(3-chlorophenyl)-2,2-dimethyl-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(9H)-one
Smiles: Clc1cccc(c1)n1cnc2c(c1=O)sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1

STK557265
Synonyms: (5Z)-3-[4-chloro-2-(trifluoromethyl)phenyl]-5-(3-fluorobenzylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: Clc1ccc(c(c1)C(F)(F)F)N1C(=S)S/C(=C\c2cccc(c2)F)/C1=O

STK557266
Synonyms: 2-imino-1-(4-methylbenzyl)-N-[2-(morpholin-4-yl)ethyl]-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
Smiles: Cc1ccc(cc1)Cn1c(=N)c(cc2c1nc1ccccn1c2=O)C(=O)NCCN1CCOCC1

STK557268
Synonyms: 4-[(2-fluorobenzyl)sulfanyl]-6,6-dimethyl-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Smiles: CCCSc1nc(SCc2ccccc2F)c2c(n1)sc1c2CC(OC1)(C)C

STK557270
Synonyms: N-(3-chloro-4-methoxyphenyl)-2-{[3-(3-methylphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1Cl)NC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)C)CCCCC3

STK557271
Synonyms: 2-[(2-chlorobenzyl)sulfanyl]-3-(2-methylprop-2-en-1-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: CC(=C)Cn1c(SCc2ccccc2Cl)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK557274
Synonyms: N'-[(E)-(4-bromophenyl)methylidene]-2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Cl)N/N=C/c1ccc(cc1)Br

STK557276
Synonyms: methyl3-{[hydroxy(diphenyl)acetyl]amino}-6-methoxy-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)C(c1ccccc1)(c1ccccc1)O)ccc(c2)OC

STK557277
Synonyms: 2-{[6,6-dimethyl-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}-1-phenylethanone
Smiles: CCCSc1nc(SCC(=O)c2ccccc2)c2c(n1)sc1c2CC(OC1)(C)C

STK557278
Synonyms: 2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-methylphenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Cl)N/N=C/c1ccc(cc1)C

STK557279
Synonyms: 2-{[6-iodo-3-(3-methylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)C)CSc1nc2ccc(cc2c(=O)n1c1cccc(c1)C)I

STK557280
Synonyms: N-carbamoyl-4-({(Z)-2-cyano-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]ethenyl}amino)benzenesulfonamide
Smiles: N#C/C(=C/Nc1ccc(cc1)S(=O)(=O)NC(=O)N)/c1scc(n1)c1cccc(c1)[N+](=O)[O-]

STK557281
Synonyms: 2-{[10-ethyl-10-methyl-5-(propylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCC(=O)Nc1ccc(cc1)C)nn2)CC(OC3)(C)CC

STK557282
Synonyms: 4-{[(4aS,4bR,7aS,8R)-6-(4-nitrophenyl)-5,7-dioxo-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazin-8-yl]carbonyl}phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C(=O)[C@@H]1N2N=CC=C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1)[N+](=O)[O-]

STK557284
Synonyms: diethyl[(4-methylphenyl)(phenylamino)methyl]phosphonate
Smiles: CCOP(=O)(C(c1ccc(cc1)C)Nc1ccccc1)OCC

STK557285
Synonyms: N'-[(E)-{4-[(3,4-dichlorobenzyl)oxy]-3-methoxyphenyl}methylidene]-2-(3,5-dimethyl-1H-pyrazol-1-yl)acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)Cn2nc(cc2C)C)ccc1OCc1ccc(c(c1)Cl)Cl

STK557286
Synonyms: (2'S,3'R,4R)-3'-(2,2-dimethylpropanoyl)-2'-(4-methoxyphenyl)-2-phenyl-2',3'-dihydro-10b'H-spiro[1,3-oxazole-4,1'-pyrrolo[2,1-a]phthalazin]-5-one
Smiles: COc1ccc(cc1)[C@H]1[C@@H](N2C([C@@]31N=C(OC3=O)c1ccccc1)c1ccccc1C=N2)C(=O)C(C)(C)C

STK557288
Synonyms: 1-(butylsulfanyl)-11-(ethylsulfanyl)-5H-spiro[benzo[h][1,2,4]triazolo[4,3-c]quinazoline-4,1'-cyclopentane]
Smiles: CCCCSc1nnc2n1c(SCC)nc1c2C2(CCCC2)Cc2c1cccc2

STK557289
Synonyms: 2-[(3-butyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]-N-(2-chlorophenyl)acetamide
Smiles: CCCCn1c(SCC(=O)Nc2ccccc2Cl)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK557290
Synonyms: 7-{[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]amino}-3-methyl-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione
Smiles: Cc1ccc2c(c1)oc1c([nH]2)c2c(c(c1)NCCCN1CCc3c(C1)cccc3)c(=O)c1c(c2=O)cccc1

STK557291
Synonyms: 4-[(2,4-dichlorobenzyl)sulfanyl]-6,6-dimethyl-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Smiles: CCCSc1nc(SCc2ccc(cc2Cl)Cl)c2c(n1)sc1c2CC(OC1)(C)C

STK557292
Synonyms: 6-(3-ethoxyphenyl)-3-phenyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: CCOc1cccc(c1)c1nn2c(s1)nnc2c1ccccc1

STK557293
Synonyms: 3-(4-chlorophenyl)-2-[(2-methoxyethyl)amino]-6-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Smiles: COCCNc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CC(CC3)C

STK557294
Synonyms: N-(2-chlorophenyl)-2-[(4-oxo-3-phenyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]acetamide
Smiles: O=C(Nc1ccccc1Cl)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1)CCCCC3

STK557295
Synonyms: 3-(3-chlorophenyl)-7-methyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Smiles: CN1CCc2c(C1)sc1c2c(=O)n(c(n1)SCC(=O)c1ccccc1)c1cccc(c1)Cl

STK557296
Synonyms: 3-[(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]phenyl4-fluorobenzoate
Smiles: Fc1ccc(cc1)C(=O)Oc1cccc(c1)NC1=C(Cl)C(=O)c2c(C1=O)cccc2

STK557298
Synonyms: 3-(2,4-dimethylphenyl)-6-iodo-2-[(E)-2-(thiophen-2-yl)ethenyl]quinazolin-4(3H)-one
Smiles: Cc1ccc(c(c1)C)n1c(/C=C/c2cccs2)nc2c(c1=O)cc(cc2)I

STK557299
Synonyms: 2-[(5Z)-5-({3-[3-(benzyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]ethanesulfonicacid
Smiles: S=C1S/C(=C\c2cn(nc2c2cccc(c2)OCc2ccccc2)c2ccccc2)/C(=O)N1CCS(=O)(=O)O

STK557300
Synonyms: (6Z)-6-[4-(dimethylamino)benzylidene]-5-imino-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C(N1CCCC1)Cc1nn2c(=NC(=O)/C(=C\c3ccc(cc3)N(C)C)/C2=N)s1

STK557302
Synonyms: 3-(2,4-dimethylphenyl)-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-4(3H)-one
Smiles: Cc1ccc(c(c1)C)n1c(/C=C/c2ccc(o2)[N+](=O)[O-])nc2c(c1=O)cccc2

STK557304
Synonyms: N'-[(1E)-1-(4-bromophenyl)ethylidene]-2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Cl)N/N=C(/c1ccc(cc1)Br)\C

STK557305
Synonyms: 7-methoxy-3-{[(E)-(4-methylphenyl)methylidene]amino}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: COc1ccc2c(c1)[nH]c1c2ncn(c1=O)/N=C/c1ccc(cc1)C

STK557306
Synonyms: 12-methyl-9-(methylsulfanyl)-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-7(12H)-one
Smiles: CSc1nnc2n1c(=O)c1c(n2C)c2ccccc2CC21CCCC2

STK557307
Synonyms: (6Z)-5-imino-6-[(2-methyl-1H-indol-3-yl)methylidene]-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1c(C)[nH]c2c1cccc2)c1cccnc1

STK557308
Synonyms: 2-{[4-(3-chlorophenyl)-7,7-dimethyl-5-oxo-4,5,6,9-tetrahydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}-N-(2-phenylethyl)acetamide
Smiles: O=C(CSc1nnc2n1c1sc3c(c1c(=O)n2c1cccc(c1)Cl)CC(OC3)(C)C)NCCc1ccccc1

STK557309
Synonyms: N'-[(E)-(3-methoxy-4-propoxyphenyl)methylidene]-2-{[5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Smiles: CCCOc1ccc(cc1OC)/C=N/NC(=O)CSc1nnc(n1c1ccccc1)c1cccc(c1)[N+](=O)[O-]

STK557310
Synonyms: 2-{[4-(4-bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide
Smiles: O=C(Nc1cccc2c1cccc2)CSc1nnc(n1c1ccc(cc1)Br)c1cccnc1

STK557311
Synonyms: 5-(4-chlorophenyl)-7-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
Smiles: Clc1ccc(cc1)C1=CC(n2c(N1)ncn2)c1ccc(cc1)[N+](=O)[O-]

STK557313
Synonyms: 3-(2-chloro-4-nitrophenyl)-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-4(3H)-one
Smiles: [O-][N+](=O)c1ccc(c(c1)Cl)n1c(/C=C/c2ccc(o2)[N+](=O)[O-])nc2c(c1=O)cccc2

STK557314
Synonyms: ethyl{[6-ethyl-6-methyl-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetate
Smiles: CCCSc1nc(SCC(=O)OCC)c2c(n1)sc1c2CC(OC1)(C)CC

STK557315
Synonyms: 2-{[10-ethyl-10-methyl-5-(propylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCC(=O)Nc1cccc4c1cccc4)nn2)CC(OC3)(C)CC

STK557316
Synonyms: (2Z)-2-cyano-N-(4-methylphenyl)-2-{(5E)-3-(2-methylphenyl)-4-oxo-5-[2-(propan-2-yloxy)benzylidene]-1,3-thiazolidin-2-ylidene}ethanamide
Smiles: N#C/C(=c\1/s/c(=C/c2ccccc2OC(C)C)/c(=O)n1c1ccccc1C)/C(=O)Nc1ccc(cc1)C

STK557317
Synonyms: (6E)-5-imino-6-[4-(methylsulfanyl)benzylidene]-2-[2-(morpholin-4-yl)-2-oxoethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CSc1ccc(cc1)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCOCC1

STK557318
Synonyms: 6-(biphenyl-4-yl)-3-(3-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: Clc1cccc(c1)c1nnc2n1N=C(CS2)c1ccc(cc1)c1ccccc1

STK557319
Synonyms: N-(4-acetylphenyl)-2-[3-(3-chlorophenyl)-6,6-dimethyl-2,4-dioxo-3,4,5,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1(6H)-yl]acetamide
Smiles: O=C(Cn1c2sc3c(c2c(=O)n(c1=O)c1cccc(c1)Cl)CC(OC3)(C)C)Nc1ccc(cc1)C(=O)C

STK557320
Synonyms: methyl6-methoxy-3-[(prop-2-en-1-ylcarbamothioyl)amino]-1H-indole-2-carboxylate
Smiles: C=CCNC(=S)Nc1c([nH]c2c1ccc(c2)OC)C(=O)OC

STK557321
Synonyms: (6Z)-6-{4-[(2-chlorobenzyl)oxy]benzylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(cc1)OCc1ccccc1Cl)c1cccnc1

STK557322
Synonyms: 2-{[10-ethyl-10-methyl-5-(propylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCC(=O)Nc1cccc(c1)C)nn2)CC(OC3)(C)CC

STK557323
Synonyms: 2-{[2-oxo-2-(thiophen-2-yl)ethyl]sulfanyl}-3-phenyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: O=C(c1cccs1)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1)CCCCC3

STK557324
Synonyms: (4-methoxyphenyl)[(2-methoxyphenyl)amino]acetonitrile
Smiles: COc1ccc(cc1)C(Nc1ccccc1OC)C#N

STK557325
Synonyms: 8-[(dibenzylamino)methyl]-1,3-dimethyl-7-(3-oxobutan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(=O)C(n1c(CN(Cc2ccccc2)Cc2ccccc2)nc2c1c(=O)n(c(=O)n2C)C)C

STK557326
Synonyms: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-N'-[(1E)-1-phenylpropylidene]acetohydrazide
Smiles: CC/C(=N\NC(=O)Cn1nc(cc1C)C)/c1ccccc1

STK557327
Synonyms: N-benzyl-2-[(8,8-dimethyl-4-oxo-3-phenyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Smiles: O=C(NCc1ccccc1)CSc1nc2nc3CC(C)(C)OCc3cc2c(=O)n1c1ccccc1

STK557329
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-N'-[(E)-pyridin-3-ylmethylidene]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: O=C(c1nnn(c1CSC1=NCCS1)c1nonc1N)N/N=C/c1cccnc1

STK557331
Synonyms: (2'R,3'R)-3'-acetyl-2'-(furan-2-yl)-2,2-dimethyl-2',3'-dihydro-10b'H-spiro[1,3-dioxane-5,1'-pyrrolo[2,1-a]phthalazine]-4,6-dione
Smiles: CC(=O)[C@@H]1N2N=Cc3c(C2C2([C@H]1c1ccco1)C(=O)OC(OC2=O)(C)C)cccc3

STK557332
Synonyms: (2'S,3S,3'S,10b'R)-2'-[(2-chlorophenyl)carbonyl]-3'-[(3-nitrophenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: O=C([C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccccc1Cl)C(=O)Nc1c2cccc1)cccc3)c1cccc(c1)[N+](=O)[O-]

STK557333
Synonyms: 1-{[5-(morpholin-4-yl)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]amino}propan-2-ol
Smiles: CC(CNc1nnnc2c1sc1c2c2CCCCc2c(n1)N1CCOCC1)O

STK557336
Synonyms: 5-(2,6-dichlorophenyl)-2,3-diphenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Clc1cccc(c1N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccccc1)Cl

STK557337
Synonyms: (5Z)-5-{[5-(2,4-dichlorophenyl)furan-2-yl]methylidene}-2-(piperidin-1-yl)-1,3-thiazol-4(5H)-one
Smiles: Clc1ccc(c(c1)Cl)c1ccc(o1)/C=C/1\SC(=NC1=O)N1CCCCC1

STK557338
Synonyms: (6Z)-6-{3-chloro-4-[(2-fluorobenzyl)oxy]benzylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(c(c1)Cl)OCc1ccccc1F)c1cccnc1

STK557339
Synonyms: 2-ethyl-2-methyl-5-(morpholin-4-yl)-N-[2-(morpholin-4-yl)ethyl]-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-amine
Smiles: CCC1(C)OCc2c(C1)c1c(nc2N2CCOCC2)sc2c1ncnc2NCCN1CCOCC1

STK557340
Synonyms: N'-[(E)-(5-bromo-2-methoxyphenyl)methylidene]-2-{[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Smiles: COc1ccc(cc1/C=N/NC(=O)CSc1nnc(n1C)c1ccc(cc1)Br)Br

STK557342
Synonyms: (2E)-N-({2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]hydrazinyl}carbonothioyl)-3-phenylprop-2-enamide
Smiles: S=C(NC(=O)/C=C/c1ccccc1)NNC(=O)c1c(C)onc1c1ccccc1

STK557345
Synonyms: (6aR,6bS,9aR,10S)-8-cyclohexyl-10-[(3-nitrophenyl)carbonyl]-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: O=C([C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1c1ccccc1C=C2)C1CCCCC1)c1cccc(c1)[N+](=O)[O-]

STK557346
Synonyms: 2-[3-(3-chlorophenyl)-2,4-dioxo-3,4,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]-N-(2-phenylethyl)acetamide
Smiles: Clc1cccc(c1)n1c(=O)c2c3CCCc3sc2n(c1=O)CC(=O)NCCc1ccccc1

STK557347
Synonyms: 2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[3-methoxy-4-(propan-2-yloxy)phenyl]methylidene}acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)CSc2nnc(n2C)c2cccc(c2)Cl)ccc1OC(C)C

STK557349
Synonyms: 2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dichlorophenyl)ethanone
Smiles: COc1ccc(cc1)n1c(SCC(=O)c2ccc(c(c2)Cl)Cl)nnc1c1ccc(cc1)C(C)(C)C

STK557350
Synonyms: 6-iodo-3-(3-methylphenyl)-2-{[1-(morpholin-4-yl)-1-oxopropan-2-yl]sulfanyl}quinazolin-4(3H)-one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)SC(C(=O)N1CCOCC1)C)c1cccc(c1)C

STK557351
Synonyms: 1-amino-8,8-dimethyl-5-(morpholin-4-yl)-N-(1,3-thiazol-2-yl)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxamide
Smiles: O=C(c1sc2c(c1N)c1CC(C)(C)OCc1c(n2)N1CCOCC1)Nc1nccs1

STK557352
Synonyms: 2-{[10-ethyl-10-methyl-5-(propylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-N-(2-phenylethyl)acetamide
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCC(=O)NCCc1ccccc1)nn2)CC(OC3)(C)CC

STK557354
Synonyms: 5-(3,4-dichlorophenyl)-3-(4-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: O=C1C2C(c3ccc(cc3)[N+](=O)[O-])N(OC2C(=O)N1c1ccc(c(c1)Cl)Cl)c1ccccc1

STK557355
Synonyms: methyl(8R,8aR,11aS,11bS)-10-(4-bromophenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxylate
Smiles: COC(=O)[C@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1C=Cc1c2cccc1)c1ccc(cc1)Br

STK557357
Synonyms: 4-chloro-N-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}benzamide
Smiles: Clc1ccc(cc1)C(=O)NCSc1nc(C)cc(n1)C

STK557358
Synonyms: 8-chloro-2-ethyl-2-methyl-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: CCC1(C)OCc2c(C1)c1c(nc2N2CCOCC2)sc2c1ncnc2Cl

STK557359
Synonyms: 5-nitro-6-(piperidin-1-yl)-N~2~-(tetrahydrofuran-2-ylmethyl)pyrimidine-2,4-diamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCCCC1)NCC1CCCO1

STK557360
Synonyms: 6-(azepan-1-yl)-2-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine
Smiles: CN1CCN(CC1)c1nc(N2CCCCCC2)c(c(n1)N)[N+](=O)[O-]

STK557361
Synonyms: (2Z)-2-cyano-N-(4-methylphenyl)-2-{(5E)-3-(4-methylphenyl)-4-oxo-5-[2-(propan-2-yloxy)benzylidene]-1,3-thiazolidin-2-ylidene}ethanamide
Smiles: N#C/C(=c\1/s/c(=C/c2ccccc2OC(C)C)/c(=O)n1c1ccc(cc1)C)/C(=O)Nc1ccc(cc1)C

STK557364
Synonyms: 1,3-dimethyl-7-(4-methylbenzyl)-8-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cc1ccc(cc1)Cn1c(N/N=C/c2ccncc2)nc2c1c(=O)n(c(=O)n2C)C

STK557365
Synonyms: 6,6-dimethyl-2-(methylsulfanyl)-4-[(4-nitrobenzyl)sulfanyl]-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Smiles: CSc1nc(SCc2ccc(cc2)[N+](=O)[O-])c2c(n1)sc1c2CC(OC1)(C)C

STK557366
Synonyms: N-(4-methylphenyl)-2-(pyridin-2-yl)quinazolin-4-amine
Smiles: Cc1ccc(cc1)Nc1nc(nc2c1cccc2)c1ccccn1

STK557368
Synonyms: N'-{(E)-[2-hydroxy-3-(prop-2-en-1-yl)phenyl]methylidene}-2-(5-methyl-1H-pyrazol-1-yl)acetohydrazide
Smiles: C=CCc1cccc(c1O)/C=N/NC(=O)Cn1nccc1C

STK557369
Synonyms: 2-(4-{(1E)-1-[2-({1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-fluorophenoxy)methyl]-1H-1,2,3-triazol-4-yl}carbonyl)hydrazinylidene]ethyl}-2-methoxyphenoxy)acetamide
Smiles: COc1cc(ccc1OCC(=O)N)/C(=N/NC(=O)c1nnn(c1COc1ccc(cc1)F)c1nonc1N)/C

STK557370
Synonyms: 6-cyclohexyl-3-(3-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: Cc1cccc(c1)c1nnc2n1nc(s2)C1CCCCC1

STK557371
Synonyms: 2-[(2-chlorobenzyl)sulfanyl]-3-methoxyquinazolin-4(3H)-one
Smiles: COn1c(SCc2ccccc2Cl)nc2c(c1=O)cccc2

STK557372
Synonyms: 2-[4-(4-chloro-3,5-dimethylphenoxy)quinazolin-2-yl]phenol
Smiles: Oc1ccccc1c1nc(Oc2cc(C)c(c(c2)C)Cl)c2c(n1)cccc2

STK557373
Synonyms: 2-(benzylsulfanyl)-N-cyclohexyl-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
Smiles: CC1(C)OCc2c(C1)c1c(NC3CCCCC3)nc(nc1s2)SCc1ccccc1

STK557374
Synonyms: 3-(4-tert-butylphenyl)-6-(naphthalen-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: CC(c1ccc(cc1)c1nnc2n1N=C(CS2)c1ccc2c(c1)cccc2)(C)C

STK557375
Synonyms: 7-(4-chlorobenzyl)-8-[(2E)-2-(4-fluorobenzylidene)hydrazinyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Fc1ccc(cc1)/C=N/Nc1nc2c(n1Cc1ccc(cc1)Cl)c(=O)n(c(=O)n2C)C

STK557377
Synonyms: 4-(3-cyclohexyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl)benzene-1,2-diol
Smiles: Oc1cc(ccc1O)C1=Nn2c(SC1)nnc2C1CCCCC1

STK557378
Synonyms: 6-(4-ethylpiperazin-1-yl)-2-(morpholin-4-yl)-5-nitropyrimidin-4-amine
Smiles: CCN1CCN(CC1)c1nc(nc(c1[N+](=O)[O-])N)N1CCOCC1

STK557380
Synonyms: 2-{[7,7-dimethyl-2-(4-methylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]sulfanyl}-N-(2-methylphenyl)acetamide
Smiles: O=C(Nc1ccccc1C)CSc1nc(nc2c1COC(C2)(C)C)c1ccc(cc1)C

STK557381
Synonyms: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-N'-[(1E)-1-phenylethylidene]acetohydrazide
Smiles: O=C(Cn1nc(cc1C)C)N/N=C(/c1ccccc1)\C

STK557384
Synonyms: 2-{[5-(3-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(6-methylpyridin-2-yl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1c1ccccc1)c1cccc(c1)Br)N/N=C/c1cccc(n1)C

STK557385
Synonyms: 5-(4-chlorophenyl)-3-(4-ethylphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: CCc1ccc(cc1)C1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)Cl)c1ccccc1

STK557386
Synonyms: 2-[(2-chlorobenzyl)sulfanyl]-3-(4-methoxyphenyl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Smiles: COc1ccc(cc1)n1c(SCc2ccccc2Cl)nc2c(c1=O)c1CCN(Cc1s2)C

STK557389
Synonyms: pentyl{[10-ethyl-10-methyl-5-(propylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetate
Smiles: CCCCCOC(=O)CSc1nnc2n1c(SCCC)nc1c2c2CC(C)(CC)OCc2s1

STK557391
Synonyms: 1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-7-(3-oxobutan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC1CCN(CC1)Cc1nc2c(n1C(C(=O)C)C)c(=O)n(c(=O)n2C)C

STK557393
Synonyms: (6E)-6-{[5-(3,4-dichlorophenyl)furan-2-yl]methylidene}-5-imino-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C(N1CCCC1)Cc1nn2c(=NC(=O)/C(=C/c3ccc(o3)c3ccc(c(c3)Cl)Cl)/C2=N)s1

STK557394
Synonyms: N-(2-methoxyphenyl)-5-nitro-2-(pyrrolidin-1-yl)pyrimidine-4,6-diamine
Smiles: COc1ccccc1Nc1nc(nc(c1[N+](=O)[O-])N)N1CCCC1

STK557395
Synonyms: ethyl{[5-(benzylsulfanyl)-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetate
Smiles: CCOC(=O)CSc1nnc2n1c(SCc1ccccc1)nc1c2c2CC(C)(C)OCc2s1

STK557396
Synonyms: 10-(benzylsulfanyl)-8-chloro-2,2-dimethyl-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: Clc1nc(SCc2ccccc2)nc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1

STK557398
Synonyms: (6Z)-2-(benzylsulfanyl)-6-[(1-{2-[4-(butan-2-yl)phenoxy]ethyl}-1H-pyrrol-2-yl)methylidene]-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCC(c1ccc(cc1)OCCn1cccc1/C=C/1\C(=O)N=c2n(C1=N)nc(s2)SCc1ccccc1)C

STK557400
Synonyms: 2-[3-(3-methylbutoxy)phenyl]-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclohexane]
Smiles: CC(CCOc1cccc(c1)c1nn2c(n1)c1c(nc2)c2ccccc2CC21CCCCC2)C

STK557401
Synonyms: (5Z)-5-(2-ethoxybenzylidene)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4(5H)-one
Smiles: CCOc1ccccc1/C=C/1\SC(=NC1=O)N1CCN(CC1)C

STK557402
Synonyms: (4aR,4bS,7aR,8S)-6-(4-methylphenyl)-5,7-dioxo-N-phenyl-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-8-carboxamide
Smiles: O=C([C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1)C)Nc1ccccc1

STK557403
Synonyms: 3-(2-chlorophenyl)-5-(2,6-dichlorophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Clc1ccccc1C1N(OC2C1C(=O)N(C2=O)c1c(Cl)cccc1Cl)c1ccccc1

STK557404
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]-5-(morpholin-4-ylmethyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: O=C(c1nnn(c1CN1CCOCC1)c1nonc1N)N/N=C/c1cc(Br)c(c(c1O)Br)O

STK557405
Synonyms: 2-methyl-7-{[3-(3-methylpiperidin-1-yl)propyl]amino}-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione
Smiles: CC1CCCN(C1)CCCNc1cc2oc3ccc(cc3[nH]c2c2c1c(=O)c1ccccc1c2=O)C

STK557407
Synonyms: N'-[2-ethyl-2-methyl-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]-N,N-dimethylethane-1,2-diamine
Smiles: CCC1(C)OCc2c(C1)c1c(nc2N2CCOCC2)sc2c1ncnc2NCCN(C)C

STK557409
Synonyms: N-(2-methoxyethyl)-2,2-dimethyl-5-(2-methylpropyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-amine
Smiles: COCCNc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)CC(C)C

STK557410
Synonyms: N-benzyl-2,2-dimethyl-10-(methylsulfanyl)-5-(propan-2-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-amine
Smiles: CSc1nc(NCc2ccccc2)c2c(n1)c1c(s2)nc(c2c1CC(C)(C)OC2)C(C)C

STK557413
Synonyms: (6Z)-6-{3-chloro-4-[(4-fluorobenzyl)oxy]benzylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: Fc1ccc(cc1)COc1ccc(cc1Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK557414
Synonyms: N-(3-chlorophenyl)-2-{[4-oxo-3-(prop-2-en-1-yl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)Nc2cccc(c2)Cl)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK557415
Synonyms: 3-(2,4-dimethylphenyl)-2-methylquinazolin-4(3H)-one
Smiles: Cc1ccc(c(c1)C)n1c(C)nc2c(c1=O)cccc2

STK557417
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-fluorophenoxy)methyl]-N'-[(E)-{4-[(3-methylbenzyl)oxy]phenyl}methylidene]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: Fc1ccc(cc1)OCc1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccc(cc1)OCc1cccc(c1)C

STK557418
Synonyms: methyl3-[({1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}acetyl)amino]-6-methoxy-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CCc3c(C1CN1C(=O)c4c(C1=O)cccc4)cccc3)ccc(c2)OC

STK557420
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-N'-[(E)-{3-[(4-methylbenzyl)oxy]phenyl}methylidene]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: Cc1ccc(cc1)COc1cccc(c1)/C=N/NC(=O)c1nnn(c1CSC1=NCCS1)c1nonc1N

STK557421
Synonyms: (6Z)-6-[4-(benzyloxy)-3-ethoxybenzylidene]-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCOc1cc(ccc1OCc1ccccc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK557423
Synonyms: (2'R,3'R)-3'-(2,2-dimethylpropanoyl)-2,2-dimethyl-2'-phenyl-2',3'-dihydro-10b'H-spiro[1,3-dioxane-5,1'-pyrrolo[2,1-a]phthalazine]-4,6-dione
Smiles: O=C(C(C)(C)C)[C@@H]1N2N=Cc3c(C2C2([C@H]1c1ccccc1)C(=O)OC(OC2=O)(C)C)cccc3

STK557424
Synonyms: 9-(3-chlorophenyl)-5-(morpholin-4-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8(9H)-one
Smiles: Clc1cccc(c1)n1cnc2c(c1=O)sc1c2c2CCCCc2c(n1)N1CCOCC1

STK557425
Synonyms: 3,10,10-trimethyl-5-(propylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CCCSc1nc2sc3c(c2c2n1c(C)nn2)CC(OC3)(C)C

STK557426
Synonyms: N-carbamimidoyl-4-({(Z)-2-cyano-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]ethenyl}amino)benzenesulfonamide
Smiles: N#C/C(=C/Nc1ccc(cc1)S(=O)(=O)NC(=N)N)/c1scc(n1)c1cc2ccccc2oc1=O

STK557428
Synonyms: 2-{[3-(2-methylprop-2-en-1-yl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
Smiles: CC(=C)Cn1c(SCC(=O)Nc2nccs2)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK557429
Synonyms: (6E)-6-[(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-5-imino-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C(N1CCCC1)Cc1nn2c(=NC(=O)/C(=C/c3cc(n(c3C)Cc3ccccc3)C)/C2=N)s1

STK557431
Synonyms: 12-(2-methylprop-2-en-1-yl)-9-[(2-methylprop-2-en-1-yl)sulfanyl]-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclohexan]-7(12H)-one
Smiles: CC(=C)Cn1c2c3ccccc3CC3(c2c(=O)n2c1nnc2SCC(=C)C)CCCCC3

STK557432
Synonyms: N,N-diethyl-2-{[6-iodo-3-(4-methylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide
Smiles: CCN(C(=O)CSc1nc2ccc(cc2c(=O)n1c1ccc(cc1)C)I)CC

STK557433
Synonyms: 5-(4-methylphenyl)-3-(2-methylpropyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Cc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)CC(C)C

STK557434
Synonyms: 12-(4-chlorobenzyl)-9-[(4-chlorobenzyl)sulfanyl]-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-7(12H)-one
Smiles: Clc1ccc(cc1)CSc1nnc2n1c(=O)c1c(n2Cc2ccc(cc2)Cl)c2ccccc2CC21CCCC2

STK557435
Synonyms: 2-[(3-ethyl-8,8-dimethyl-4-oxo-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
Smiles: CCn1c(SCC(=O)Nc2nccs2)nc2c(c1=O)cc1c(n2)CC(OC1)(C)C

STK557436
Synonyms: 2-[(6-bromo-2-methylquinolin-4-yl)sulfanyl]acetamide
Smiles: Cc1cc(SCC(=O)N)c2c(n1)ccc(c2)Br

STK557438
Synonyms: 5-amino-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine-3-thiol
Smiles: Nc1nc2sc3c(c2c2n1c(S)nn2)CC(OC3)(C)C

STK557439
Synonyms: 2-ethyl-2-methyl-5-(morpholin-4-yl)-8-(pyrrolidin-1-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: CCC1(C)OCc2c(C1)c1c(nc2N2CCOCC2)sc2c1ncnc2N1CCCC1

STK557440
Synonyms: 2-[3-(pentyloxy)phenyl]-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclopentane]
Smiles: CCCCCOc1cccc(c1)c1nn2c(n1)c1c(nc2)c2ccccc2CC21CCCC2

STK557441
Synonyms: 4-(3-chlorophenyl)-1-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-7,7-dimethyl-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: Clc1ccc(cc1)C(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2c1cccc(c1)Cl)CC(OC3)(C)C

STK557443
Synonyms: 8-ethoxy-2,2-dimethyl-5-(pyrrolidin-1-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: CCOc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCCC1

STK557444
Synonyms: 5-(2,6-dichlorophenyl)-2-phenyl-3-(pyridin-3-yl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Clc1cccc(c1N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1cccnc1)Cl

STK557445
Synonyms: N-[(2E)-3-cyano-10-methyl-1-(2-methylpropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]acetamide
Smiles: N#Cc1cc2c(n(/c/1=N/C(=O)C)CC(C)C)nc1n(c2=O)cccc1C

STK557446
Synonyms: 3-(butylsulfanyl)-10,10-dimethyl-5-(propylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CCCCSc1nnc2n1c(SCCC)nc1c2c2CC(C)(C)OCc2s1

STK557447
Synonyms: 3-[(4-chlorobenzyl)oxy]-2-[(4-chlorobenzyl)sulfanyl]quinazolin-4(3H)-one
Smiles: Clc1ccc(cc1)CSc1nc2ccccc2c(=O)n1OCc1ccc(cc1)Cl

STK557448
Synonyms: 5-(2-fluorophenyl)-3-(4-fluorophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Fc1ccc(cc1)C1N(OC2C1C(=O)N(C2=O)c1ccccc1F)c1ccccc1

STK557450
Synonyms: 5-(methylsulfanyl)-3-[(4-nitrobenzyl)sulfanyl]-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CSc1nc2sc3c(c2c2n1c(SCc1ccc(cc1)[N+](=O)[O-])nn2)CCC3

STK557452
Synonyms: (4aR,4bS,7aR,8S)-8-[(4-fluorophenyl)carbonyl]-6-[3-(trifluoromethyl)phenyl]-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: Fc1ccc(cc1)C(=O)[C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1cccc(c1)C(F)(F)F

STK557453
Synonyms: 4-(4-chlorophenyl)-1-[(2-oxo-2-phenylethyl)sulfanyl]-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: Clc1ccc(cc1)n1c2nnc(n2c2c(c1=O)c1CCCCc1s2)SCC(=O)c1ccccc1

STK557455
Synonyms: (6Z)-6-{3-chloro-4-[2-(2,4-dimethylphenoxy)ethoxy]benzylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: Cc1ccc(c(c1)C)OCCOc1ccc(cc1Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK557456
Synonyms: (6Z)-6-{3-ethoxy-4-[(4-fluorobenzyl)oxy]benzylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCOc1cc(ccc1OCc1ccc(cc1)F)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK557458
Synonyms: N~2~-(3-methylbutyl)-5-nitro-6-(piperidin-1-yl)pyrimidine-2,4-diamine
Smiles: CC(CCNc1nc(N2CCCCC2)c(c(n1)N)[N+](=O)[O-])C

STK557460
Synonyms: (6Z)-6-{3-chloro-4-[(2-chlorobenzyl)oxy]-5-methoxybenzylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1cc(cc(c1OCc1ccccc1Cl)Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK557461
Synonyms: (6Z)-6-{3-chloro-5-ethoxy-4-[(4-fluorobenzyl)oxy]benzylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCOc1cc(cc(c1OCc1ccc(cc1)F)Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK557463
Synonyms: 4-bromo-2-[(E)-{2-[(3,4-dimethylphenoxy)acetyl]hydrazinylidene}methyl]phenyl(2E)-3-(furan-2-yl)prop-2-enoate
Smiles: O=C(COc1ccc(c(c1)C)C)N/N=C/c1cc(Br)ccc1OC(=O)/C=C/c1ccco1

STK557465
Synonyms: 7-({3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl}amino)-2-methyl-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione
Smiles: COc1ccccc1N1CCN(CC1)CCCNc1cc2oc3ccc(cc3[nH]c2c2c1c(=O)c1ccccc1c2=O)C

STK557466
Synonyms: 6-(4-benzylpiperidin-1-yl)-N~2~-(2,5-dimethoxyphenyl)-5-nitropyrimidine-2,4-diamine
Smiles: COc1ccc(c(c1)Nc1nc(N)c(c(n1)N1CCC(CC1)Cc1ccccc1)[N+](=O)[O-])OC

STK557467
Synonyms: 2-(5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclopentan]-2-yl)phenol
Smiles: Oc1ccccc1c1nn2c(n1)c1c(nc2)c2ccccc2CC21CCCC2

STK557469
Synonyms: 2-{[6-amino-2-(diethylamino)-5-nitropyrimidin-4-yl]amino}ethanol
Smiles: OCCNc1nc(nc(c1[N+](=O)[O-])N)N(CC)CC

STK557470
Synonyms: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(c(c2)C(F)(F)F)Cl)nnc1c1cccnc1

STK557471
Synonyms: (5E)-2-(4-benzylpiperazin-1-yl)-5-[4-(propan-2-yloxy)benzylidene]-1,3-thiazol-4(5H)-one
Smiles: CC(Oc1ccc(cc1)/C=C\1/SC(=NC1=O)N1CCN(CC1)Cc1ccccc1)C

STK557472
Synonyms: (6Z)-5-imino-6-[3-methoxy-4-(3-phenoxypropoxy)benzylidene]-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1cc(ccc1OCCCOc1ccccc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK557473
Synonyms: 5-nitro-N~2~,N~4~-bis(tetrahydrofuran-2-ylmethyl)pyrimidine-2,4,6-triamine
Smiles: [O-][N+](=O)c1c(NCC2CCCO2)nc(nc1N)NCC1CCCO1

STK557474
Synonyms: 3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
Smiles: Cn1nnc2c(c1=O)c1CCCCc1s2

STK557475
Synonyms: 4-[3-(4-ethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-N,N-diethylaniline
Smiles: CCOc1ccc(cc1)c1nnc2n1nc(s2)c1ccc(cc1)N(CC)CC

STK557476
Synonyms: N-(2,4-difluorophenyl)-2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1F)F)CSc1nnc(n1c1ccc(cc1)C)c1ccncc1

STK557477
Synonyms: 8-methoxy-5-(piperidin-1-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
Smiles: COc1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCCCC1

STK557478
Synonyms: 2,4-dimethoxy-N-{[4-(4-methoxyphenyl)tetrahydro-2H-pyran-4-yl]methyl}benzamide
Smiles: COc1ccc(cc1)C1(CCOCC1)CNC(=O)c1ccc(cc1OC)OC

STK557479
Synonyms: 4-{[(4aS,4bR,7aS,8R)-6-(4-methoxyphenyl)-5,7-dioxo-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazin-8-yl]carbonyl}phenylacetate
Smiles: COc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1N([C@H]2C(=O)c2ccc(cc2)OC(=O)C)N=CC=C1

STK557480
Synonyms: 2-[3-(4-chlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]-N-(2,4-dimethoxyphenyl)acetamide
Smiles: COc1ccc(c(c1)OC)NC(=O)Cn1c2sc3c(c2c(=O)n(c1=O)c1ccc(cc1)Cl)CCCC3

STK557482
Synonyms: N~2~-[2-(morpholin-4-yl)ethyl]-5-nitro-6-(piperidin-1-yl)pyrimidine-2,4-diamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCCCC1)NCCN1CCOCC1

STK557484
Synonyms: 2-{[3-(3-chlorophenyl)-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl]sulfanyl}-N,N-diphenylacetamide
Smiles: Clc1cccc(c1)n1c(SCC(=O)N(c2ccccc2)c2ccccc2)nc2c(c1=O)cc1c(n2)CCCC1

STK557485
Synonyms: 2-(3,4-dihydroisoquinolin-2(1H)-yl)-3-{(Z)-[3-(3-methoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: COCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCc3c(C2)cccc3)/C1=O

STK557486
Synonyms: 3-(3-chlorophenyl)-2-(methylsulfanyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one
Smiles: CSc1nc2nc3CCCCc3cc2c(=O)n1c1cccc(c1)Cl

STK557487
Synonyms: (6aR,6bS,9aR,10S)-8-(4-chlorophenyl)-10-(furan-2-ylcarbonyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: Clc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=Cc2c1cccc2)C(=O)c1ccco1

STK557488
Synonyms: 2-[4-(3,5-dimethylphenoxy)quinazolin-2-yl]phenol
Smiles: Cc1cc(C)cc(c1)Oc1nc(nc2c1cccc2)c1ccccc1O

STK557489
Synonyms: 1-(4-bromophenyl)-2-{[4-(4-bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Smiles: Brc1ccc(cc1)C(=O)CSc1nnc(n1c1ccc(cc1)Br)c1cccnc1

STK557490
Synonyms: 5-[(1-benzyl-1H-indol-3-yl)methylidene]-1,3-bis(4-methoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: COc1ccc(cc1)N1C(=O)/C(=C/c2cn(c3c2cccc3)Cc2ccccc2)/C(=O)N(C1=S)c1ccc(cc1)OC

STK557491
Synonyms: 6-(4,6-dioxo-2,5-diphenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl)-2,3-dimethoxybenzoicacid
Smiles: COc1c(OC)ccc(c1C(=O)O)C1N(OC2C1C(=O)N(C2=O)c1ccccc1)c1ccccc1

STK557492
Synonyms: (6E)-6-({1-[2-(4-chlorophenoxy)ethyl]-1H-indol-3-yl}methylidene)-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: Clc1ccc(cc1)OCCn1cc(c2c1cccc2)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK557493
Synonyms: 3-(2-chlorophenyl)-5-(4-methylphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Cc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccccc1Cl

STK557494
Synonyms: 9-bromo-5-(2-chlorophenyl)-2-(thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Smiles: Brc1ccc2c(c1)C1CC(=NN1C(O2)c1ccccc1Cl)c1cccs1

STK557495
Synonyms: (6E)-5-imino-6-({1-[2-(4-methoxyphenoxy)ethyl]-1H-indol-3-yl}methylidene)-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1ccc(cc1)OCCn1cc(c2c1cccc2)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK557496
Synonyms: 5-(4-methylphenyl)-7-(3-nitrophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
Smiles: Cc1ccc(cc1)C1=CC(n2c(N1)nnn2)c1cccc(c1)[N+](=O)[O-]

STK557497
Synonyms: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)c1sc2c(n1)ccc(c2)C)CSc1nnc(n1c1ccc(cc1)C)c1ccncc1

STK557499
Synonyms: 6-(4-bromophenyl)-3-(4-tert-butylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: Brc1ccc(cc1)C1=Nn2c(SC1)nnc2c1ccc(cc1)C(C)(C)C

STK557500
Synonyms: N-{1-[2-(3,4-dimethoxyphenyl)ethyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl}pyridine-4-carboxamide
Smiles: COc1cc(CCN2C3=C(C(C2=O)(NC(=O)c2ccncc2)C(F)(F)F)C(=O)CC(C3)(C)C)ccc1OC

STK557501
Synonyms: 2-{[5-(methylsulfanyl)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-N-(1-phenylpropan-2-yl)acetamide
Smiles: CSc1nc2sc3c(c2c2n1c(SCC(=O)NC(Cc1ccccc1)C)nn2)CCC3

STK557502
Synonyms: N-[1-(2-chlorobenzyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]-2-fluorobenzamide
Smiles: Fc1ccccc1C(=O)NC1(C2=C(N(C1=O)Cc1ccccc1Cl)CC(CC2=O)(C)C)C(F)(F)F

STK557503
Synonyms: 12-(3-methylbutyl)-9-[(3-methylbutyl)sulfanyl]-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclohexan]-7(12H)-one
Smiles: CC(CCn1c2c3ccccc3CC3(c2c(=O)n2c1nnc2SCCC(C)C)CCCCC3)C

STK557504
Synonyms: (2Z)-2-cyano-N-(3-methylphenyl)-2-{(5E)-3-(2-methylphenyl)-4-oxo-5-[2-(prop-2-en-1-yloxy)benzylidene]-1,3-thiazolidin-2-ylidene}ethanamide
Smiles: C=CCOc1ccccc1/C=c\1/s/c(=C(\C(=O)Nc2cccc(c2)C)/C#N)/n(c1=O)c1ccccc1C

STK557505
Synonyms: 1-[2-(3,4-dimethoxyphenyl)ethyl]-6,6-dimethyl-3-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione
Smiles: COc1cc(CCN2C3=C(C(C2=O)(c2c(C)[nH]n(c2=O)c2ccccc2)C(F)(F)F)C(=O)CC(C3)(C)C)ccc1OC

STK557506
Synonyms: (6E)-5-imino-6-{[1-(4-methylbenzyl)-1H-indol-3-yl]methylidene}-2-[2-(morpholin-4-yl)-2-oxoethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: Cc1ccc(cc1)Cn1cc(c2c1cccc2)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCOCC1

STK557507
Synonyms: 6-(4-benzylpiperazin-1-yl)-5-nitro-N~2~-(tetrahydrofuran-2-ylmethyl)pyrimidine-2,4-diamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCN(CC1)Cc1ccccc1)NCC1CCCO1

STK557508
Synonyms: N-(1-propyl-1H-pyrazolo[3,4-b]quinolin-3-yl)pyridine-3-carboxamide
Smiles: CCCn1nc(c2c1nc1ccccc1c2)NC(=O)c1cccnc1

STK557509
Synonyms: (8S,8aR,11aS,11bS)-10-(1,3-benzodioxol-5-yl)-9,11-dioxo-N-phenyl-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide
Smiles: O=C([C@H]1N2C=Cc3c([C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc2c(c1)OCO2)cccc3)Nc1ccccc1

STK557510
Synonyms: 1-(8-methyl-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)-2-(piperidin-1-yl)ethanone
Smiles: Cc1ccc2c(c1)c1CN(CCc1[nH]2)C(=O)CN1CCCCC1

STK557511
Synonyms: 10-ethyl-3-[(2-fluorobenzyl)sulfanyl]-10-methyl-5-(propylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCc1ccccc1F)nn2)CC(OC3)(C)CC

STK557512
Synonyms: 5-(4-fluorophenyl)-7-(3-nitrophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
Smiles: Fc1ccc(cc1)C1=CC(n2c(N1)nnn2)c1cccc(c1)[N+](=O)[O-]

STK557513
Synonyms: N-(2,4-dimethoxyphenyl)-2-{[6,6-dimethyl-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
Smiles: CCCSc1nc(SCC(=O)Nc2ccc(cc2OC)OC)c2c(n1)sc1c2CC(OC1)(C)C

STK557515
Synonyms: 6-(biphenyl-4-yl)-3-(2-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: Clc1ccccc1c1nnc2n1N=C(CS2)c1ccc(cc1)c1ccccc1

STK557517
Synonyms: (8S,8aR,11aS,11bS)-8-(2,2-dimethylpropanoyl)-10-(naphthalen-1-yl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione
Smiles: O=C1[C@H]2[C@@H](C(=O)N1c1cccc3c1cccc3)[C@H](N1[C@@H]2c2ccccc2C=N1)C(=O)C(C)(C)C

STK557518
Synonyms: 9-bromo-5-(2,4-dichlorophenyl)-2-(thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Smiles: Clc1ccc(c(c1)Cl)C1Oc2ccc(cc2C2N1N=C(C2)c1cccs1)Br

STK557519
Synonyms: 3-(3-chlorophenyl)-1-(4-nitrobenzyl)-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
Smiles: Clc1cccc(c1)n1c(=O)c2c3CCCc3sc2n(c1=O)Cc1ccc(cc1)[N+](=O)[O-]

STK557521
Synonyms: (8S,8aR,11aS,11bS)-10-(3-chloro-4-fluorophenyl)-8-(phenylcarbonyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Smiles: O=C([C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1C=Cc1c2cccc1)c1ccc(c(c1)Cl)F)c1ccccc1

STK557522
Synonyms: 4-[3-(3-ethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]benzene-1,2-diol
Smiles: CCOc1cccc(c1)c1nnc2n1N=C(CS2)c1ccc(c(c1)O)O

STK557523
Synonyms: N,3-bis(2-methoxyphenyl)-3-[4-(propan-2-yloxy)phenyl]propanamide
Smiles: COc1ccccc1C(c1ccc(cc1)OC(C)C)CC(=O)Nc1ccccc1OC

STK557524
Synonyms: 3-(2-chloro-4-nitrophenyl)-2-ethylquinazolin-4(3H)-one
Smiles: CCc1nc2ccccc2c(=O)n1c1ccc(cc1Cl)[N+](=O)[O-]

STK557525
Synonyms: 5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-N-phenyl-1,3,4-thiadiazol-2-amine
Smiles: Cc1cc(C)nc(n1)SCc1nnc(s1)Nc1ccccc1

STK557526
Synonyms: (6Z)-6-{4-[(4-fluorobenzyl)oxy]benzylidene}-5-imino-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: Fc1ccc(cc1)COc1ccc(cc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1

STK557528
Synonyms: (6Z)-6-{[5-(3-chlorophenyl)furan-2-yl]methylidene}-5-imino-2-[2-oxo-2-(piperidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: Clc1cccc(c1)c1ccc(o1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCCC1

STK557529
Synonyms: methyl(1R,2R,3R,3aS)-1-{[4-(acetyloxy)phenyl]carbonyl}-3-cyano-2-[4-(dimethylamino)phenyl]-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Smiles: COC(=O)[C@]1(C#N)[C@@H](c2ccc(cc2)N(C)C)[C@@H](N2[C@H]1C=Cc1c2cccc1)C(=O)c1ccc(cc1)OC(=O)C

STK557530
Synonyms: 2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(E)-(4-nitrophenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nncn1C)N/N=C/c1ccc(cc1)[N+](=O)[O-]

STK557531
Synonyms: 2-{[3-(4-ethoxyphenyl)-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2cccc(c2)C)nc2c(c1=O)c1CCN(Cc1s2)C

STK557533
Synonyms: 6-(4-tert-butylphenyl)-3-(4-ethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: CCOc1ccc(cc1)c1nnc2n1nc(s2)c1ccc(cc1)C(C)(C)C

STK557535
Synonyms: 1,3-dimethyl-7-(3-nitrophenyl)-8-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: [O-][N+](=O)c1cccc(c1)c1cn2c(n1c1ccccc1)nc1c2c(=O)n(C)c(=O)n1C

STK557538
Synonyms: (3aR,4S,11aR,11bS)-4-(4-bromophenyl)-2-(4-chlorophenyl)-3a,4,6,11,11a,11b-hexahydro-1H-pyrrolo[3',4':3,4]pyrrolo[1,2-b]isoquinoline-1,3(2H)-dione
Smiles: Clc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2Cc2ccccc2C1)c1ccc(cc1)Br

STK557539
Synonyms: 2-[(6-bromo-2-methylquinolin-4-yl)sulfanyl]-N'-[(E)-phenylmethylidene]acetohydrazide
Smiles: O=C(CSc1cc(C)nc2c1cc(Br)cc2)N/N=C/c1ccccc1

STK557540
Synonyms: 2-imino-1-(4-methoxybenzyl)-10-methyl-3-(phenylsulfonyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
Smiles: COc1ccc(cc1)Cn1c2nc3c(C)cccn3c(=O)c2cc(c1=N)S(=O)(=O)c1ccccc1

STK557541
Synonyms: 9-bromo-5-[4-(hexyloxy)-3-methoxyphenyl]-2-(thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Smiles: CCCCCCOc1ccc(cc1OC)C1Oc2ccc(cc2C2N1N=C(C2)c1cccs1)Br

STK557542
Synonyms: (2Z)-2-cyano-2-[(5E)-5-(2-methylbenzylidene)-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)ethanamide
Smiles: N#C/C(=c\1/s/c(=C/c2ccccc2C)/c(=O)n1c1ccc(cc1)C)/C(=O)Nc1ccc(cc1)C

STK557543
Synonyms: ethyl(2E,3E)-3-[2-({4-[(diphenylacetyl)amino]phenyl}carbonyl)hydrazinylidene]-2-(hydroxyimino)butanoate
Smiles: CCOC(=O)/C(=N/O)/C(=N/NC(=O)c1ccc(cc1)NC(=O)C(c1ccccc1)c1ccccc1)/C

STK557544
Synonyms: 6-ethyl-6-methyl-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-4-thiol
Smiles: CCCSc1nc(S)c2c(n1)sc1c2CC(OC1)(C)CC

STK557546
Synonyms: 6-(3-bromophenyl)-3-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: Clc1ccc(cc1)c1nnc2n1N=C(CS2)c1cccc(c1)Br

STK557548
Synonyms: N-(4-{[(2E)-2-(2,3-dimethoxybenzylidene)hydrazinyl]carbonyl}phenyl)-2,2-diphenylacetamide
Smiles: COc1c(/C=N/NC(=O)c2ccc(cc2)NC(=O)C(c2ccccc2)c2ccccc2)cccc1OC

STK557549
Synonyms: 4-benzyl-6-ethyl-6-methyl-1-(prop-2-en-1-ylsulfanyl)-6,7-dihydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Smiles: C=CCSc1nnc2n1c1c3ccccc3CC(c1c(=O)n2Cc1ccccc1)(C)CC

STK557552
Synonyms: 10-(morpholin-4-yl)-8,9-dihydro-7H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e]tetrazolo[1,5-c]pyrimidine
Smiles: O1CCN(CC1)c1nc2sc3c(c2c2c1CCC2)ncn1c3nnn1

STK557553
Synonyms: 2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Smiles: COc1ccc(cc1)n1c(SCC(=O)c2ccc(c(c2)O)O)nc2c(c1=O)c1CCCCc1s2

STK557554
Synonyms: 2-amino-N-butyl-1-[2-(morpholin-4-yl)ethyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: CCCCNC(=O)c1c(N)n(c2c1nc1ccccc1n2)CCN1CCOCC1

STK557556
Synonyms: N-(4-chlorophenyl)-2-{[4-(4-chlorophenyl)-5-oxo-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)Cl)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)Cl)CCCC3

STK557557
Synonyms: 2-amino-1-dodecyl-N-[2-(4-methoxyphenyl)ethyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: CCCCCCCCCCCCn1c2nc3ccccc3nc2c(c1N)C(=O)NCCc1ccc(cc1)OC

STK557558
Synonyms: 3-[4-(2,3-dimethylphenoxy)butyl]-2-(4-methoxyphenyl)quinazolin-4(3H)-one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCOc1cccc(c1C)C

STK557559
Synonyms: 3-(4-chloro-2-oxo-3-phenyl-2,3-dihydro-1,3-thiazol-5-yl)-5-(4-chlorophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Clc1ccc(cc1)N1C(=O)C2C(C1=O)ON(C2c1sc(=O)n(c1Cl)c1ccccc1)c1ccccc1

STK557560
Synonyms: 1,3-dimethyl-7-(2-phenylethyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Smiles: O=c1n(C)c2NC(=NC(c2c(=O)n1C)(C(F)(F)F)C(F)(F)F)CCc1ccccc1

STK557561
Synonyms: 2-(4-methoxyphenyl)-3-[4-(2,3,5-trimethylphenoxy)butyl]quinazolin-4(3H)-one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCOc1cc(C)cc(c1C)C

STK557562
Synonyms: 7-(4-chlorobenzyl)-8-[(2E)-2-(4-methoxybenzylidene)hydrazinyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: COc1ccc(cc1)/C=N/Nc1nc2c(n1Cc1ccc(cc1)Cl)c(=O)n(c(=O)n2C)C

STK557563
Synonyms: 2-[(3-bromobenzyl)sulfanyl]-3-(2-methylphenyl)quinazolin-4(3H)-one
Smiles: Brc1cccc(c1)CSc1nc2ccccc2c(=O)n1c1ccccc1C

STK557564
Synonyms: N'-[(E)-(4-bromophenyl)methylidene]-2-{[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccc(cc1)Br)N/N=C/c1ccc(cc1)Br

STK557565
Synonyms: 5-(benzylsulfanyl)-3-(prop-2-en-1-ylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: C=CCSc1nnc2n1c(SCc1ccccc1)nc1c2c2CCCCc2s1

STK557566
Synonyms: N',N',4,7,7-pentamethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carbohydrazide
Smiles: CN(NC(=O)C12CCC(C2(C)C)(C(=O)C1=O)C)C

STK557568
Synonyms: 5-(3-chloro-2-methylphenyl)-3-(2,4-dichlorophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Clc1ccc(c(c1)Cl)C1N(OC2C1C(=O)N(C2=O)c1cccc(c1C)Cl)c1ccccc1

STK557569
Synonyms: [(1-benzyl-1H-indol-3-yl)methylidene]propanedioicacid
Smiles: OC(=O)C(=Cc1cn(c2c1cccc2)Cc1ccccc1)C(=O)O

STK557570
Synonyms: 2-{[5-(benzylsulfanyl)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1nnc2n1c(SCc1ccccc1)nc1c2c2CCCc2s1

STK557571
Synonyms: N'-[(E)-(2,4-dichlorophenyl)methylidene]-2-(3,5-dimethyl-1H-pyrazol-1-yl)acetohydrazide
Smiles: O=C(Cn1nc(cc1C)C)N/N=C/c1ccc(cc1Cl)Cl

STK557572
Synonyms: 2-{[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-3-(4-methylphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Smiles: Cc1ccc(cc1)n1c(SCC(=O)c2ccc(c(c2)Cl)Cl)nc2c(c1=O)c1CCCCc1s2

STK557573
Synonyms: 3-(4-chlorophenyl)-6-methyl-2-(pyrrolidin-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Smiles: CC1CCc2c(C1)c1c(s2)nc(n(c1=O)c1ccc(cc1)Cl)N1CCCC1

STK557577
Synonyms: N-(3-chloro-4-methoxyphenyl)-2-{[3-(2-methylprop-2-en-1-yl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1Cl)NC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC(=C)C)CCCCC3

STK557578
Synonyms: 3-(3-methylphenyl)-2-{[2-oxo-2-(thiophen-2-yl)ethyl]sulfanyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: Cc1cccc(c1)n1c(SCC(=O)c2cccs2)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK557579
Synonyms: 2-{[5-(benzylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-N-(2,4-dimethoxyphenyl)acetamide
Smiles: COc1cc(OC)ccc1NC(=O)CSc1nnc2n1c(SCc1ccccc1)nc1c2c2CCCCc2s1

STK557580
Synonyms: 2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2-methylphenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Cl)N/N=C/c1ccccc1C

STK557581
Synonyms: N'-[(E)-1,3-benzodioxol-5-ylmethylidene]-2-{[5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Smiles: O=C(CSc1nnc(n1c1ccccc1)c1cccc(c1)[N+](=O)[O-])N/N=C/c1ccc2c(c1)OCO2

STK557583
Synonyms: 3-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: COc1ccc(cc1OC)C1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)F)c1ccccc1

STK557584
Synonyms: 2-imino-1-(4-methoxybenzyl)-N-(3-methoxypropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
Smiles: COCCCNC(=O)c1cc2c(n(c1=N)Cc1ccc(cc1)OC)nc1n(c2=O)cccc1

STK557585
Synonyms: N'-[(E)-(2-methoxynaphthalen-1-yl)methylidene]-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
Smiles: COc1ccc2c(c1/C=N/NC(=O)CSc1nncn1C)cccc2

STK557586
Synonyms: ethylN-({[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)glycinate
Smiles: CCOC(=O)CNC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CCCC3

STK557587
Synonyms: 9-bromo-5-[4-(hexyloxy)phenyl]-2-(5-methylfuran-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Smiles: CCCCCCOc1ccc(cc1)C1Oc2ccc(cc2C2N1N=C(C2)c1ccc(o1)C)Br

STK557588
Synonyms: (6Z)-6-{3-chloro-4-[(2-chlorobenzyl)oxy]benzylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(c(c1)Cl)OCc1ccccc1Cl)c1cccnc1

STK557589
Synonyms: 4-[3-(2-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-N,N-diethylaniline
Smiles: CCN(c1ccc(cc1)c1nn2c(s1)nnc2c1ccccc1Cl)CC

STK557590
Synonyms: 5-{(E)-[(5-amino-1H-tetrazol-1-yl)imino]methyl}-2-ethoxyphenol
Smiles: CCOc1ccc(cc1O)/C=N/n1nnnc1N

STK557593
Synonyms: 7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCN1CCN(CC1)c1nc2c(n1CCSc1nc3c(o1)cccc3)c(=O)n(c(=O)n2C)C

STK557594
Synonyms: N-(3-chlorophenyl)-2-{[2,2-dimethyl-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1)Cl)CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1

STK557595
Synonyms: 2-imino-1-methyl-5-oxo-N-(pyridin-3-ylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
Smiles: O=C(c1cc2c(n(c1=N)C)nc1n(c2=O)cccc1)NCc1cccnc1

STK557596
Synonyms: 3-(2,5-dimethoxyphenyl)-5-(4-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: COc1ccc(c(c1)C1C2C(=O)N(C(=O)C2ON1c1ccccc1)c1ccc(cc1)[N+](=O)[O-])OC

STK557597
Synonyms: 3-(2-chloro-4-nitrophenyl)-6-iodo-2-[(E)-2-phenylethenyl]quinazolin-4(3H)-one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)/C=C/c1ccccc1)c1ccc(cc1Cl)[N+](=O)[O-]

STK557598
Synonyms: (3aR,6aS)-3-(4-bromophenyl)-5-(5-methoxy-2-methyl-4-nitrophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: COc1cc(c(cc1[N+](=O)[O-])C)N1C(=O)[C@@H]2[C@H](C1=O)C(=NO2)c1ccc(cc1)Br

STK557600
Synonyms: 2,4-dimethyl-8,9,10,11-tetrahydropyrimido[1',2':1,5]pyrazolo[3,4-b]quinoline
Smiles: Cc1cc(C)n2c(n1)c1cc3CCCCc3nc1n2

STK557601
Synonyms: 2-methoxy-N-(1-propyl-1H-pyrazolo[3,4-b]quinolin-3-yl)benzamide
Smiles: CCCn1nc(c2c1nc1ccccc1c2)NC(=O)c1ccccc1OC

STK557603
Synonyms: 2-(3,5-dimethylpiperidin-1-yl)-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-amine
Smiles: CCN1CCN(CC1)c1nc(nc(c1[N+](=O)[O-])N)N1CC(C)CC(C1)C

STK557604
Synonyms: 5-(3-chloro-2-methylphenyl)-2-phenyl-3-(pyridin-3-yl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: O=C1C2ON(C(C2C(=O)N1c1cccc(c1C)Cl)c1cccnc1)c1ccccc1

STK557606
Synonyms: 3-(2,4-dimethylphenyl)-6-iodo-2-[(E)-2-(3-nitrophenyl)ethenyl]quinazolin-4(3H)-one
Smiles: Cc1ccc(c(c1)C)n1c(/C=C/c2cccc(c2)[N+](=O)[O-])nc2c(c1=O)cc(cc2)I

STK557607
Synonyms: 6-(4-methylpiperazin-1-yl)-5-nitro-N~2~-(2-phenylethyl)pyrimidine-2,4-diamine
Smiles: CN1CCN(CC1)c1nc(NCCc2ccccc2)nc(c1[N+](=O)[O-])N

STK557609
Synonyms: 2-[(6-bromo-2-methylquinolin-4-yl)sulfanyl]-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}acetohydrazide
Smiles: O=C(CSc1cc(C)nc2c1cc(Br)cc2)N/N=C/c1ccc(cc1)N(C)C

STK557610
Synonyms: (6Z)-6-{4-[2-(2-chlorophenoxy)ethoxy]benzylidene}-5-imino-2-(thiophen-2-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(cc1)OCCOc1ccccc1Cl)c1cccs1

STK557612
Synonyms: N-(3-chlorophenyl)-2-[(3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)sulfanyl]acetamide
Smiles: CCn1c(SCC(=O)Nc2cccc(c2)Cl)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK557613
Synonyms: (6aS,6bR,9aS,10R)-8-(naphthalen-2-yl)-7,9-dioxo-10-(phenylcarbonyl)-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinolin-1-ylacetate
Smiles: CC(=O)Oc1cccc2c1N1[C@@H](C=C2)[C@H]2[C@@H]([C@@H]1C(=O)c1ccccc1)C(=O)N(C2=O)c1ccc2c(c1)cccc2

STK557614
Synonyms: 2-[(3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
Smiles: CCn1c(SCC(=O)Nc2nccs2)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK557615
Synonyms: (5Z)-5-{[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene}-2-[4-(2-methylphenyl)piperazin-1-yl]-1,3-thiazol-4(5H)-one
Smiles: O=C1N=C(S/C/1=C\c1ccc(o1)c1ccc(cc1Cl)[N+](=O)[O-])N1CCN(CC1)c1ccccc1C

STK557616
Synonyms: N-(2,4-dimethoxyphenyl)-2-{[10,10-dimethyl-5-(propylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamide
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCC(=O)Nc1ccc(cc1OC)OC)nn2)CC(OC3)(C)C

STK557618
Synonyms: (3E)-3-(hydroxyimino)-4,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptane-1-carboxamide
Smiles: O/N=C/1\CC2(C(C1(C)CC2)(C)C)C(=O)Nc1ccccc1

STK557619
Synonyms: methyl2-[(4aR,4bS,7aR,8S)-8-[(4-fluorophenyl)carbonyl]-5,7-dioxo-4b,5,7a,8-tetrahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazin-6(7H)-yl]benzoate
Smiles: COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=CC=N1)C(=O)c1ccc(cc1)F

STK557621
Synonyms: 3-(4-ethoxyphenyl)-6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: CCOc1ccc(cc1)c1nnc2n1N=C(CS2)c1ccc(cc1)OC

STK557622
Synonyms: (8S,8aR,11aS,11bS)-8-(2,2-dimethylpropanoyl)-10-(2-methoxyphenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione
Smiles: COc1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)C(C)(C)C)N=Cc2c1cccc2

STK557623
Synonyms: 2-imino-10-methyl-5-oxo-1-[3-(propan-2-yloxy)propyl]-N-(tetrahydrofuran-2-ylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
Smiles: CC(OCCCn1c(=N)c(cc2c1nc1c(C)cccn1c2=O)C(=O)NCC1CCCO1)C

STK557625
Synonyms: (E)-1-(3,4-dimethoxyphenyl)-N-{[9-(propan-2-yl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methoxy}methanimine
Smiles: COc1cc(/C=N/OCc2nn3c(n2)c2c(nc3)sc3c2CCN(C3)C(C)C)ccc1OC

STK557627
Synonyms: N'-[(E)-(3-bromophenyl)methylidene]-2-{[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccc(cc1)Br)N/N=C/c1cccc(c1)Br

STK557628
Synonyms: 2-chloro-3-(3-chlorophenyl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: Clc1cccc(c1)n1c(Cl)nc2c(c1=O)c1CC(C)(C)OCc1s2

STK557629
Synonyms: (8S,8aR,11aS,11bS)-10-(4-acetylphenyl)-8-(2,2-dimethylpropanoyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione
Smiles: CC(=O)c1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2c2ccccc2C=N1)C(=O)C(C)(C)C

STK557630
Synonyms: 7-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-1,3-dimethyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: COc1cc(ccc1OC)C(=O)Cn1c(nc2c1c(=O)n(C)c(=O)n2C)N1CCCCC1

STK557631
Synonyms: methyl(1R,2R,3R,3aS)-1-{[4-(acetyloxy)phenyl]carbonyl}-3-cyano-2-phenyl-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Smiles: COC(=O)[C@]1(C#N)[C@@H](c2ccccc2)[C@@H](N2[C@H]1C=Cc1c2cccc1)C(=O)c1ccc(cc1)OC(=O)C

STK557632
Synonyms: N'-[(E)-(2-methylphenyl)methylidene]-2-{[5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Smiles: O=C(CSc1nnc(n1c1ccccc1)c1cccc(c1)[N+](=O)[O-])N/N=C/c1ccccc1C

STK557634
Synonyms: 3-(4-tert-butylphenyl)-6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: COc1ccc(cc1)C1=Nn2c(SC1)nnc2c1ccc(cc1)C(C)(C)C

STK557635
Synonyms: N'-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2-(5-methyl-1H-pyrazol-1-yl)acetohydrazide
Smiles: COc1cc(cc(c1O)/C=N/NC(=O)Cn1nccc1C)[N+](=O)[O-]

STK557636
Synonyms: 2,2-diphenyl-N-(4-{[(2E)-2-{1-[4-(1H-pyrrol-1-yl)phenyl]ethylidene}hydrazinyl]carbonyl}phenyl)acetamide
Smiles: O=C(C(c1ccccc1)c1ccccc1)Nc1ccc(cc1)C(=O)N/N=C(/c1ccc(cc1)n1cccc1)\C

STK557638
Synonyms: (6aR,6bS,9aR,10S)-8-(3-bromophenyl)-10-(furan-2-ylcarbonyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: Brc1cccc(c1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=Cc2c1cccc2)C(=O)c1ccco1

STK557639
Synonyms: 3-(3-ethoxyphenyl)-6-(4-ethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: CCOc1ccc(cc1)c1sc2n(n1)c(nn2)c1cccc(c1)OCC

STK557640
Synonyms: 2-{[4-(4-chlorophenyl)-7-methyl-5-oxo-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide
Smiles: CC1CCc2c(C1)c1c(=O)n(c3ccc(cc3)Cl)c3n(c1s2)c(SCC(=O)N)nn3

STK557641
Synonyms: 2-[(2-chlorobenzyl)sulfanyl]-3-(prop-2-en-1-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: C=CCn1c(SCc2ccccc2Cl)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK557643
Synonyms: 2-[(3-ethyl-8,8-dimethyl-4-oxo-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N,N-diphenylacetamide
Smiles: CCn1c(SCC(=O)N(c2ccccc2)c2ccccc2)nc2c(c1=O)cc1c(n2)CC(OC1)(C)C

STK557644
Synonyms: 3-benzyl-1-(2-{6-[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl}ethyl)-1-methylthiourea
Smiles: COc1c(C=C2C(=O)N(C)C(=O)N(C2=O)C)c(CCN(C(=S)NCc2ccccc2)C)cc2c1OCO2

STK557645
Synonyms: 3-(2-methoxyphenyl)-5-(4-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: COc1ccccc1C1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)[N+](=O)[O-])c1ccccc1

STK557646
Synonyms: 5-(3-chloro-2-methylphenyl)-3-(2-chlorophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Clc1ccccc1C1N(OC2C1C(=O)N(C2=O)c1cccc(c1C)Cl)c1ccccc1

STK557647
Synonyms: 6-iodo-3-(3-methylphenyl)-2-(methylsulfanyl)quinazolin-4(3H)-one
Smiles: CSc1nc2ccc(cc2c(=O)n1c1cccc(c1)C)I

STK557649
Synonyms: 4-[3-(4-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]benzene-1,2-diol
Smiles: Cc1ccc(cc1)c1nnc2n1N=C(CS2)c1ccc(c(c1)O)O

STK557650
Synonyms: 1-{[2-(benzylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]amino}propan-2-ol
Smiles: CC(CNc1nc(SCc2ccccc2)nc2c1c1CCCCc1s2)O

STK557651
Synonyms: (6aR,6bS,9aR,10S)-8-(3-chloro-4-fluorophenyl)-10-[(3-nitrophenyl)carbonyl]-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: O=C([C@H]1N2[C@@H]([C@@H]3[C@H]1C(=O)N(C3=O)c1ccc(c(c1)Cl)F)C=Cc1c2cccc1)c1cccc(c1)[N+](=O)[O-]

STK557653
Synonyms: 5-(3-chloro-2-methylphenyl)-3-(4-methylphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Cc1ccc(cc1)C1N(OC2C1C(=O)N(C2=O)c1cccc(c1C)Cl)c1ccccc1

STK557654
Synonyms: methyl3-({3-[4-(ethoxycarbonyl)piperidin-1-yl]propanoyl}amino)-6-methoxy-1H-indole-2-carboxylate
Smiles: CCOC(=O)C1CCN(CC1)CCC(=O)Nc1c([nH]c2c1ccc(c2)OC)C(=O)OC

STK557655
Synonyms: 1-(4-chlorophenyl)-2-{[6-ethyl-6-methyl-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}ethanone
Smiles: CCCSc1nc(SCC(=O)c2ccc(cc2)Cl)c2c(n1)sc1c2CC(OC1)(C)CC

STK557656
Synonyms: 2-({[4-(4-bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole
Smiles: Brc1ccc(cc1)n1c(SCc2nc3c([nH]2)cccc3)nnc1c1cccnc1

STK557659
Synonyms: 2-[(4-chlorobenzyl)sulfanyl]-3-ethyl-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Smiles: CCn1c(SCc2ccc(cc2)Cl)nc2c(c1=O)c1CCN(Cc1s2)C

STK557661
Synonyms: N-{[4-(benzyloxy)phenyl](cyano)methyl}-2-chloro-N-phenylacetamide
Smiles: ClCC(=O)N(C(c1ccc(cc1)OCc1ccccc1)C#N)c1ccccc1

STK557662
Synonyms: 2-[(2-chlorobenzyl)sulfanyl]-3-(2-phenylethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: Clc1ccccc1CSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCCC3

STK557663
Synonyms: 3-[(4-bromobenzyl)sulfanyl]-10-ethyl-10-methyl-5-(propylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCc1ccc(cc1)Br)nn2)CC(OC3)(C)CC

STK557665
Synonyms: (6Z)-6-{3-ethoxy-4-[(2-fluorobenzyl)oxy]benzylidene}-5-imino-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCOc1cc(ccc1OCc1ccccc1F)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1

STK557666
Synonyms: N-[(4E)-8-ethoxy-1,3-dimethyl-6-(thiophen-2-yl)-4H-cyclohepta[c]furan-4-ylidene]-N'-phenylbenzene-1,4-diamine
Smiles: CCOc1cc(c/c(=N\c2ccc(cc2)Nc2ccccc2)/c2c1c(C)oc2C)c1cccs1

STK557667
Synonyms: 2-[(2-chlorobenzyl)sulfanyl]-3-ethyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: CCn1c(SCc2ccccc2Cl)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK557668
Synonyms: 8-bromo-1,3-dimethyl-7-(naphthalen-2-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cn1c(=O)n(C)c2c(c1=O)n(Cc1ccc3c(c1)cccc3)c(n2)Br

STK557669
Synonyms: 6-(3-bromophenyl)-3-(2,4-dichlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: Clc1ccc(c(c1)Cl)c1nnc2n1N=C(CS2)c1cccc(c1)Br

STK557671
Synonyms: 2-(4-ethylphenyl)-6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]decane
Smiles: CCc1ccc(cc1)C1N2CC3(CN1CC(C2)(C3(C)C)[N+](=O)[O-])[N+](=O)[O-]

STK557672
Synonyms: 3-{[5-(piperidin-1-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]amino}propan-1-ol
Smiles: OCCCNc1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCCCC1

STK557674
Synonyms: N-(4-acetylphenyl)-2-{[10-ethyl-10-methyl-5-(propylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamide
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCC(=O)Nc1ccc(cc1)C(=O)C)nn2)CC(OC3)(C)CC

STK557675
Synonyms: (2''R,3''R)-3''-acetyl-2''-(3,4-dimethoxyphenyl)-2'',3''-dihydro-10b''H-dispiro[cyclohexane-1,2'-[1,3]dioxane-5',1''-pyrrolo[2,1-a]phthalazine]-4',6'-dione
Smiles: COc1cc(ccc1OC)[C@H]1[C@H](C(=O)C)N2C(C31C(=O)OC1(OC3=O)CCCCC1)c1ccccc1C=N2

STK557676
Synonyms: (6Z)-6-{3-chloro-5-ethoxy-4-[(3-methylbenzyl)oxy]benzylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCOc1cc(cc(c1OCc1cccc(c1)C)Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK557677
Synonyms: N'-[2,2-dimethyl-5-(morpholin-4-yl)-1,4-dihydro-2H-thiopyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]-N,N-dimethylethane-1,2-diamine
Smiles: CN(CCNc1ncnc2c1sc1c2c2CC(C)(C)SCc2c(n1)N1CCOCC1)C

STK557678
Synonyms: (6Z)-6-{[5-(2-chlorophenyl)furan-2-yl]methylidene}-5-imino-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C(N1CCCC1)Cc1nn2c(=NC(=O)/C(=C\c3ccc(o3)c3ccccc3Cl)/C2=N)s1

STK557679
Synonyms: N-(4-acetylphenyl)-2-{[3-(4-ethoxyphenyl)-6,6-dimethyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)C(=O)C)nc2c(c1=O)c1CC(C)(C)OCc1s2

STK557680
Synonyms: diethyl[(1-methyl-1H-indol-3-yl)methylidene]propanedioate
Smiles: CCOC(=O)C(=Cc1cn(c2c1cccc2)C)C(=O)OCC

STK557683
Synonyms: (5Z)-5-{[5-(4-bromophenyl)furan-2-yl]methylidene}-2-[4-(2-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4(5H)-one
Smiles: Brc1ccc(cc1)c1ccc(o1)/C=C/1\SC(=NC1=O)N1CCN(CC1)c1ccccc1[N+](=O)[O-]

STK557684
Synonyms: 2-({4-amino-5-nitro-6-[(tetrahydrofuran-2-ylmethyl)amino]pyrimidin-2-yl}amino)ethanol
Smiles: OCCNc1nc(NCC2CCCO2)c(c(n1)N)[N+](=O)[O-]

STK557685
Synonyms: N-{(2S)-1-[(4-methoxybenzyl)amino]-1-oxopropan-2-yl}-1-[(4-methylphenyl)sulfonyl]piperidine-4-carboxamide
Smiles: COc1ccc(cc1)CNC(=O)[C@@H](NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)C)C

STK557687
Synonyms: 3-(2-chloro-4-nitrophenyl)-2-[(E)-2-(3-nitrophenyl)ethenyl]quinazolin-4(3H)-one
Smiles: [O-][N+](=O)c1ccc(c(c1)Cl)n1c(/C=C/c2cccc(c2)[N+](=O)[O-])nc2c(c1=O)cccc2

STK557689
Synonyms: N'-[(E)-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Cl)N/N=C/c1c(C)nn(c1Cl)c1ccccc1

STK557690
Synonyms: 2-{[6-iodo-3-(2-methylprop-2-en-1-yl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)C)CSc1nc2ccc(cc2c(=O)n1CC(=C)C)I

STK557691
Synonyms: (4aR,4bS,7aR,8S)-8-[(4-fluorophenyl)carbonyl]-6-(2-methyl-5-nitrophenyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: Fc1ccc(cc1)C(=O)[C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1cc(ccc1C)[N+](=O)[O-]

STK557692
Synonyms: 2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide
Smiles: O=C(Nc1cccc2c1cccc2)CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)Cl

STK557693
Synonyms: 2-[4-(benzyloxy)phenyl]-1-(2-methylphenyl)-4-oxoazetidine-2-carbonitrile
Smiles: N#CC1(CC(=O)N1c1ccccc1C)c1ccc(cc1)OCc1ccccc1

STK557694
Synonyms: 3-(4-chlorophenyl)-1-(2-phenylethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Smiles: Clc1ccc(cc1)n1c(=O)n(CCc2ccccc2)c2c(c1=O)c1CCCCc1s2

STK557695
Synonyms: 5-amino-1-[2-(benzylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]-1H-pyrazole-4-carbonitrile
Smiles: N#Cc1cnn(c1N)c1nc(SCc2ccccc2)nc2c1c1CCCCc1s2

STK557696
Synonyms: 7,7-dimethyl-N-(2-phenylethyl)-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5-amine
Smiles: CC1(C)OCc2c(C1)c1c(NCCc3ccccc3)nc3n(c1s2)nnn3

STK557697
Synonyms: (6Z)-6-[4-(benzyloxy)benzylidene]-5-imino-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C(N1CCCC1)Cc1nn2c(=NC(=O)/C(=C\c3ccc(cc3)OCc3ccccc3)/C2=N)s1

STK557698
Synonyms: 1-(4-fluorobenzyl)-2-imino-N-(3-methoxypropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
Smiles: COCCCNC(=O)c1cc2c(n(c1=N)Cc1ccc(cc1)F)nc1n(c2=O)cccc1

STK557700
Synonyms: (4aR,4bS,7aR,8S)-8-[(3,4-dimethoxyphenyl)carbonyl]-6-(4-nitrophenyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: COc1ccc(cc1OC)C(=O)[C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1)[N+](=O)[O-]

STK557701
Synonyms: 2-{[4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-thiophen-2-ylmethylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)[N+](=O)[O-])N/N=C/c1cccs1

STK557702
Synonyms: 3-(3-chlorophenyl)-5-(2,6-dichlorophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Clc1cccc(c1)C1N(OC2C1C(=O)N(C2=O)c1c(Cl)cccc1Cl)c1ccccc1

STK557703
Synonyms: 6-(3-chlorophenyl)-3-(4-ethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: CCOc1ccc(cc1)c1nnc2n1nc(s2)c1cccc(c1)Cl

STK557704
Synonyms: N~2~-(4-methylbenzyl)-6-(4-methylpiperazin-1-yl)-5-nitropyrimidine-2,4-diamine
Smiles: CN1CCN(CC1)c1nc(NCc2ccc(cc2)C)nc(c1[N+](=O)[O-])N

STK557706
Synonyms: 1,3-dimethyl-7-(3-oxobutan-2-yl)-8-(piperidin-1-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(=O)C(n1c(CN2CCCCC2)nc2c1c(=O)n(c(=O)n2C)C)C

STK557707
Synonyms: 2-{[4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E)-1-(naphthalen-2-yl)ethylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)[N+](=O)[O-])N/N=C(/c1ccc2c(c1)cccc2)\C

STK557708
Synonyms: N-(4-ethoxyphenyl)-2-(4-methylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine
Smiles: CCOc1ccc(cc1)Nc1nc(nc(c1[N+](=O)[O-])N)N1CCN(CC1)C

STK557709
Synonyms: 2-{(E)-[2-({1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-1H-1,2,3-triazol-4-yl}carbonyl)hydrazinylidene]methyl}benzoicacid
Smiles: CN(Cc1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccccc1C(=O)O)C

STK557711
Synonyms: 6-tert-butyl-3-(3-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: COc1cccc(c1)c1nnc2n1N=C(CS2)C(C)(C)C

STK557714
Synonyms: 3-ethyl-2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Smiles: CCn1c(SCC(=O)c2ccc(cc2)F)nc2c(c1=O)c1CCN(Cc1s2)C

STK557716
Synonyms: 3-(1H-imidazol-1-yl)-1H-1,2,4-triazole
Smiles: c1[nH]nc(n1)n1cncc1

STK557717
Synonyms: 3-(4-ethoxyphenyl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: CCOc1ccc(cc1)c1nnc2n1N=C(CS2)c1ccccc1

STK557719
Synonyms: 2-{[3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
Smiles: O=C(Nc1ccc(c(c1)C(F)(F)F)Cl)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)Cl

STK557720
Synonyms: 3-(2-methylphenyl)-6-(naphthalen-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: Cc1ccccc1c1nnc2n1N=C(CS2)c1ccc2c(c1)cccc2

STK557721
Synonyms: (3aR,6aS)-3,5-bis(3-nitrophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: O=C1N(c2cccc(c2)[N+](=O)[O-])C(=O)[C@@H]2[C@H]1C(=NO2)c1cccc(c1)[N+](=O)[O-]

STK557723
Synonyms: 2-{[2-oxo-2-(thiophen-2-yl)ethyl]sulfanyl}-3-(prop-2-en-1-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: C=CCn1c(SCC(=O)c2cccs2)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK557726
Synonyms: N-(1-butyl-1H-pyrazolo[3,4-b]quinolin-3-yl)acetamide
Smiles: CCCCn1nc(c2c1nc1ccccc1c2)NC(=O)C

STK557728
Synonyms: 3-(4-chlorophenyl)-6-(naphthalen-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: Clc1ccc(cc1)c1nnc2n1N=C(CS2)c1ccc2c(c1)cccc2

STK557729
Synonyms: (2Z)-2-cyano-N-(4-methylphenyl)-2-[(5E)-3-(4-methylphenyl)-4-oxo-5-(2-propoxybenzylidene)-1,3-thiazolidin-2-ylidene]ethanamide
Smiles: CCCOc1ccccc1/C=c\1/s/c(=C(\C(=O)Nc2ccc(cc2)C)/C#N)/n(c1=O)c1ccc(cc1)C

STK557730
Synonyms: (4aR,4bS,7aR,8S)-6-(naphthalen-1-yl)-5,7-dioxo-N-phenyl-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-8-carboxamide
Smiles: O=C([C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1cccc2c1cccc2)Nc1ccccc1

STK557731
Synonyms: (4aS,4bR,7aS,8R)-8-(2,2-dimethylpropanoyl)-6-phenyl-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: O=C1N(c2ccccc2)C(=O)[C@@H]2[C@H]1[C@@H](N1[C@H]2C=CC=N1)C(=O)C(C)(C)C

STK557734
Synonyms: (5Z)-2-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-5-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-1,3-thiazol-4(5H)-one
Smiles: O=C1N=C(S/C/1=C\c1ccc(o1)c1cccc(c1)[N+](=O)[O-])N1CCN(CC1)c1ccc(c(c1)Cl)C

STK557735
Synonyms: 6-(2-chlorophenyl)-3-(4-ethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: CCOc1ccc(cc1)c1nnc2n1nc(s2)c1ccccc1Cl

STK557736
Synonyms: methyl(8R,8aR,11aS,11bS)-10-(4-methylphenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxylate
Smiles: COC(=O)[C@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1C=Cc1c2cccc1)c1ccc(cc1)C

STK557737
Synonyms: 2-{[3-(furan-2-ylmethyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
Smiles: O=C(Nc1nccs1)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccco1)CCCCC3

STK557738
Synonyms: (4aS,4bR,7aS,8R)-6-(1,3-benzodioxol-5-yl)-8-(2,2-dimethylpropanoyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: O=C1N(c2ccc3c(c2)OCO3)C(=O)[C@H]2[C@@H]1[C@@H]1C=CC=NN1[C@H]2C(=O)C(C)(C)C

STK557739
Synonyms: (6Z)-5-imino-6-{3-methoxy-4-[2-(3-methylphenoxy)ethoxy]benzylidene}-2-(thiophen-2-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1cc(ccc1OCCOc1cccc(c1)C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccs1

STK557740
Synonyms: methyl3-({[4-(2-hydroxyethyl)piperazin-1-yl]acetyl}amino)-6-methoxy-1H-indole-2-carboxylate
Smiles: OCCN1CCN(CC1)CC(=O)Nc1c([nH]c2c1ccc(c2)OC)C(=O)OC

STK557741
Synonyms: 2-{[3-(4-chlorophenyl)-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CCN(C3)C

STK557743
Synonyms: N-benzyl-2-[(4-oxo-3-phenyl-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]acetamide
Smiles: O=C(NCc1ccccc1)CSc1nc2nc3CCCCc3cc2c(=O)n1c1ccccc1

STK557746
Synonyms: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-N'-[(E)-pyridin-2-ylmethylidene]acetohydrazide
Smiles: O=C(Cn1nc(cc1C)C)N/N=C/c1ccccn1

STK557747
Synonyms: 2-(3-{(E)-[2-({1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-1H-1,2,3-triazol-4-yl}carbonyl)hydrazinylidene]methyl}phenoxy)acetamide
Smiles: NC(=O)COc1cccc(c1)/C=N/NC(=O)c1nnn(c1CSC1=NCCS1)c1nonc1N

STK557748
Synonyms: (4aR,4bS,7aR,8S)-6-cyclohexyl-8-[(4-fluorophenyl)carbonyl]-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: Fc1ccc(cc1)C(=O)[C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)C1CCCCC1

STK557751
Synonyms: 3-(4-ethoxyphenyl)-6-(2-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: CCOc1ccc(cc1)c1nnc2n1nc(s2)c1ccccc1OC

STK557752
Synonyms: (4aS,9bR)-2,8-dimethyl-N-(tetrahydrofuran-2-ylmethyl)-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indole-5-carbothioamide
Smiles: CN1CC[C@H]2[C@@H](C1)c1cc(C)ccc1N2C(=S)NCC1CCCO1

STK557753
Synonyms: N~2~-(2-methoxyethyl)-5-nitro-6-(pyrrolidin-1-yl)pyrimidine-2,4-diamine
Smiles: COCCNc1nc(N)c(c(n1)N1CCCC1)[N+](=O)[O-]

STK557754
Synonyms: 3-[(2-chlorobenzyl)sulfanyl]-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-5-amine
Smiles: Clc1ccccc1CSc1nnc2n1c(N)nc1c2c2CC(C)(C)OCc2s1

STK557755
Synonyms: 3-methoxy-2-[(4-nitrobenzyl)sulfanyl]quinazolin-4(3H)-one
Smiles: COn1c(SCc2ccc(cc2)[N+](=O)[O-])nc2c(c1=O)cccc2

STK557757
Synonyms: (1'S,2'S,3R,3a'R)-1'-(2,2-dimethylpropanoyl)-7'-methoxy-2'-[(3-methoxyphenyl)carbonyl]-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: COc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)C(C)(C)C)[C@H]([C@@]21C(=O)Nc1c2cccc1)C(=O)c1cccc(c1)OC

STK557758
Synonyms: 3-(3-hydroxyphenyl)-2-phenyl-5-(4-propoxyphenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: CCCOc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1cccc(c1)O

STK557759
Synonyms: 2-{[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-methoxyphenyl)methylidene]acetohydrazide
Smiles: COc1ccc(cc1)/C=N/NC(=O)CSc1nnc(n1C)c1ccc(cc1)Br

STK557760
Synonyms: N-(4-chlorophenyl)-2-{[3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)Cl)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK557761
Synonyms: 6-(biphenyl-4-yl)-3-(furan-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: c1ccc(cc1)c1ccc(cc1)C1=Nn2c(SC1)nnc2c1ccco1

STK557762
Synonyms: 2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[4-(diethylamino)phenyl]methylidene}acetohydrazide
Smiles: CCN(c1ccc(cc1)/C=N/NC(=O)CSc1nnc(n1C)c1cccc(c1)Cl)CC

STK557763
Synonyms: N-[(2Z)-1-butyl-3-cyano-10-methyl-5-oxo-1,5-dihydro-2H-pyrido[1,2-g][1,6]naphthyridin-2-ylidene]-3-methylbenzamide
Smiles: CCCCn1/c(=N\C(=O)c2cccc(c2)C)/c(C#N)cc2c1cc1c(C)cccn1c2=O

STK557764
Synonyms: 5-(2,6-dichlorophenyl)-3-(4-methylphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Cc1ccc(cc1)C1N(OC2C1C(=O)N(C2=O)c1c(Cl)cccc1Cl)c1ccccc1

STK557765
Synonyms: 3-(2,4-dichlorophenyl)-6-(naphthalen-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: Clc1ccc(c(c1)Cl)c1nnc2n1N=C(CS2)c1ccc2c(c1)cccc2

STK557767
Synonyms: methyl4-(9-nitro-2-phenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl)benzoate
Smiles: COC(=O)c1ccc(cc1)C1Oc2ccc(cc2C2N1N=C(C2)c1ccccc1)[N+](=O)[O-]

STK557768
Synonyms: (8R,8aS,11aR)-10-(2,4-dimethylphenyl)-8-(2,2-dimethylpropanoyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Smiles: Cc1ccc(c(c1)C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1C2c2ccccc2C=C1)C(=O)C(C)(C)C

STK557770
Synonyms: 2-{[3-(2-methylpropyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
Smiles: CC(Cn1c(SCC(=O)Nc2nccs2)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1)C

STK557771
Synonyms: 6-(2,6-dimethoxyphenyl)-3-(3-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: COc1cccc(c1)c1nnc2n1nc(s2)c1c(OC)cccc1OC

STK557772
Synonyms: 2-[(3-bromobenzyl)sulfanyl]-3-(4-ethoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Smiles: CCOc1ccc(cc1)n1c(SCc2cccc(c2)Br)nc2c(c1=O)c1CCCCc1s2

STK557773
Synonyms: (6Z)-6-{3-chloro-4-[2-(4-methoxyphenoxy)ethoxy]benzylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1ccc(cc1)OCCOc1ccc(cc1Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK557774
Synonyms: 2-(5-methyl-1H-pyrazol-1-yl)-N'-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylidene]acetohydrazide
Smiles: O=C(Cn1nccc1C)N/N=C/c1cn[nH]c1c1ccccc1

STK557775
Synonyms: (6Z)-6-{4-[3-(2,4-dimethylphenoxy)propoxy]-3-methoxybenzylidene}-5-imino-2-(thiophen-2-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1cc(ccc1OCCCOc1ccc(cc1C)C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccs1

STK557776
Synonyms: (1E)-[1-(4-ethoxyphenyl)ethylidene]hydrazine
Smiles: CCOc1ccc(cc1)/C(=N/N)/C

STK557777
Synonyms: 1-amino-N-(2,4-dimethoxyphenyl)-5-(morpholin-4-yl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
Smiles: COc1cc(OC)ccc1NC(=O)c1sc2c(c1N)c1CCCCc1c(n2)N1CCOCC1

STK557778
Synonyms: (6Z)-5-imino-6-[3-methoxy-4-(naphthalen-1-ylmethoxy)benzylidene]-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1cc(ccc1OCc1cccc2c1cccc2)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK557779
Synonyms: N-{[2-(benzyloxy)phenyl](cyano)methyl}-3-chloro-N-(4-methoxyphenyl)propanamide
Smiles: ClCCC(=O)N(C(c1ccccc1OCc1ccccc1)C#N)c1ccc(cc1)OC

STK557781
Synonyms: 2-(4-methylpiperidin-1-yl)-5-nitro-N-(tetrahydrofuran-2-ylmethyl)pyrimidine-4,6-diamine
Smiles: CC1CCN(CC1)c1nc(NCC2CCCO2)c(c(n1)N)[N+](=O)[O-]

STK557782
Synonyms: 3-(3-ethoxyphenyl)-6-(2-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: CCOc1cccc(c1)c1nnc2n1nc(s2)c1ccccc1C

STK557783
Synonyms: N-{[4-(benzyloxy)phenyl](cyano)methyl}-3-chloro-N-(2-methoxyphenyl)propanamide
Smiles: ClCCC(=O)N(c1ccccc1OC)C(c1ccc(cc1)OCc1ccccc1)C#N

STK557784
Synonyms: 3-(3-ethoxyphenyl)-6-phenyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: CCOc1cccc(c1)c1nnc2n1nc(s2)c1ccccc1

STK557785
Synonyms: 2-[(E)-2-(dimethylamino)ethenyl]-3-nitro-1-benzofuran-5-ylacetate
Smiles: CC(=O)Oc1ccc2c(c1)c([N+](=O)[O-])c(o2)/C=C/N(C)C

STK557786
Synonyms: 2-{[10,10-dimethyl-5-(propylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCC(=O)Nc1nccs1)nn2)CC(OC3)(C)C

STK557787
Synonyms: 2-[4-(pentafluorophenoxy)phenyl]-1-[2-(pyridin-3-yl)piperidin-1-yl]ethanone
Smiles: O=C(N1CCCCC1c1cccnc1)Cc1ccc(cc1)Oc1c(F)c(F)c(c(c1F)F)F

STK557790
Synonyms: 2-{[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E)-1-(4-nitrophenyl)ethylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccc(cc1)Br)N/N=C(/c1ccc(cc1)[N+](=O)[O-])\C

STK557791
Synonyms: 3-{4-[(5E)-5-{4-[(4-nitrobenzyl)oxy]benzylidene}-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl}propanenitrile
Smiles: N#CCCN1CCN(CC1)C1=NC(=O)/C(=C\c2ccc(cc2)OCc2ccc(cc2)[N+](=O)[O-])/S1

STK557792
Synonyms: (5Z)-5-(2-chlorobenzylidene)-2-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-thiazol-4(5H)-one
Smiles: Clc1ccc(cc1)N1CCN(CC1)C1=NC(=O)/C(=C/c2ccccc2Cl)/S1

STK557793
Synonyms: (4aR,4bS,7aR,8S)-8-[(3,4-dimethoxyphenyl)carbonyl]-6-(4-methoxyphenyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: COc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)c2ccc(c(c2)OC)OC)N=CC=C1

STK557795
Synonyms: 2-{[6-ethyl-6-methyl-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Smiles: CCCSc1nc(SCC(=O)Nc2ccc(cc2)OC)c2c(n1)sc1c2CC(OC1)(C)CC

STK557796
Synonyms: 2-{[10-ethyl-10-methyl-5-(methylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Smiles: CCC1(C)OCc2c(C1)c1c(s2)nc(n2c1nnc2SCC(=O)Nc1ccc(cc1)OC)SC

STK557798
Synonyms: 2-{[2-(benzylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}-1-phenylethanone
Smiles: O=C(c1ccccc1)CSc1nc(SCc2ccccc2)nc2c1c1CC(C)(C)OCc1s2

STK557799
Synonyms: 2-[(2,2-dimethoxyethyl)(methyl)amino]-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
Smiles: COC(CN(CC(=O)c1c(C)[nH]c2c1cc(OC)cc2)C)OC

STK557800
Synonyms: 3-(acetylamino)-7,7-dimethyl-N-nonyl-7,8-dihydro-5H-pyrano[4,3-b]thieno[3,2-e]pyridine-2-carboxamide
Smiles: CCCCCCCCCNC(=O)c1sc2c(c1NC(=O)C)cc1c(n2)CC(OC1)(C)C

STK557801
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-N'-[(E)-{3-[(2-fluorobenzyl)oxy]phenyl}methylidene]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: O=C(c1nnn(c1CSC1=NCCS1)c1nonc1N)N/N=C/c1cccc(c1)OCc1ccccc1F

STK557802
Synonyms: 3-(2-chlorophenyl)-6-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: COc1cc(cc(c1OC)OC)c1nn2c(s1)nnc2c1ccccc1Cl

STK557803
Synonyms: (6E)-6-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: Clc1ccc(cc1)n1c(C)cc(c1C)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1

STK557804
Synonyms: N~4~-cyclohexyl-N~2~,N~2~-dimethyl-5-nitropyrimidine-2,4,6-triamine
Smiles: [O-][N+](=O)c1c(NC2CCCCC2)nc(nc1N)N(C)C

STK557805
Synonyms: 1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]thiourea
Smiles: NC(=S)Nc1scc(n1)c1ccc(cc1)Br

STK557807
Synonyms: N'-[(E)-(3-nitrophenyl)methylidene]-2-{[5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Smiles: O=C(CSc1nnc(n1c1ccccc1)c1cccc(c1)[N+](=O)[O-])N/N=C/c1cccc(c1)[N+](=O)[O-]

STK557808
Synonyms: 2-(benzylsulfanyl)-4-[(2-chlorobenzyl)sulfanyl]-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Smiles: Clc1ccccc1CSc1nc(SCc2ccccc2)nc2c1c1CC(C)(C)OCc1s2

STK557809
Synonyms: 2-{[5-(benzylsulfanyl)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
Smiles: O=C(Nc1nccs1)CSc1nnc2n1c(SCc1ccccc1)nc1c2c2CCCc2s1

STK557810
Synonyms: 2-[(E)-{2-[4-(4-chlorophenyl)piperazin-1-yl]-4-oxo-1,3-thiazol-5(4H)-ylidene}methyl]phenylbenzenesulfonate
Smiles: Clc1ccc(cc1)N1CCN(CC1)C1=NC(=O)/C(=C\c2ccccc2OS(=O)(=O)c2ccccc2)/S1

STK557813
Synonyms: N-(3-methoxypropyl)-5-(piperidin-1-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-amine
Smiles: COCCCNc1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCCCC1

STK557814
Synonyms: 5-(2,6-dichlorophenyl)-3-(4-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: O=C1C2C(C(=O)N1c1c(Cl)cccc1Cl)ON(C2c1ccc(cc1)[N+](=O)[O-])c1ccccc1

STK557815
Synonyms: 7-methoxy-4-(4-methylpiperidin-1-yl)-5H-pyrimido[5,4-b]indole
Smiles: COc1ccc2c(c1)[nH]c1c2ncnc1N1CCC(CC1)C

STK557817
Synonyms: N-[5-(morpholin-4-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]ethane-1,2-diamine
Smiles: NCCNc1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCOCC1

STK557822
Synonyms: 2-{[5-(3-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-phenylmethylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1c1ccccc1)c1cccc(c1)Br)N/N=C/c1ccccc1

STK557823
Synonyms: 2-{[5-(3-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}acetohydrazide
Smiles: O=C(CSc1nnc(n1c1ccccc1)c1cccc(c1)Br)N/N=C/c1ccc(cc1)N(C)C

STK557824
Synonyms: 10-ethyl-10-methyl-3-(prop-2-en-1-ylsulfanyl)-5-(propylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCC=C)nn2)CC(OC3)(C)CC

STK557825
Synonyms: (8S,8aR,11aS,11bS)-8-(2,2-dimethylpropanoyl)-10-[3-(trifluoromethyl)phenyl]-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione
Smiles: O=C1N(c2cccc(c2)C(F)(F)F)C(=O)[C@@H]2[C@H]1[C@@H]1N([C@@H]2C(=O)C(C)(C)C)N=Cc2c1cccc2

STK557826
Synonyms: (4aS,4bR,7aS,8R)-6-(2,4-dimethylphenyl)-8-(2,2-dimethylpropanoyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: Cc1ccc(c(c1)C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=CC=N1)C(=O)C(C)(C)C

STK557827
Synonyms: 3-(3-chlorophenyl)-6-(2,5-dimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: COc1ccc(c(c1)C1=Nn2c(SC1)nnc2c1cccc(c1)Cl)OC

STK557828
Synonyms: (6Z)-6-[3,5-dichloro-4-(2-phenoxyethoxy)benzylidene]-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1cc(Cl)c(c(c1)Cl)OCCOc1ccccc1)c1cccnc1

STK557830
Synonyms: N-(3-chloro-4-methylphenyl)-2-{[3-(4-ethoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(c(c2)Cl)C)nc2c(c1=O)cccc2

STK557831
Synonyms: (3aR,4S,9aR,9bS)-4-(4-bromophenyl)-2-(4-chlorophenyl)octahydro-1H-pyrrolo[3,4-a]indolizine-1,3(2H)-dione
Smiles: Clc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2CCCC1)c1ccc(cc1)Br

STK557832
Synonyms: 5-(benzylsulfanyl)-3-(butylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CCCCSc1nnc2n1c(SCc1ccccc1)nc1c2c2CCCCc2s1

STK557834
Synonyms: (6Z)-6-{4-[(4-chlorobenzyl)oxy]benzylidene}-5-imino-2-[2-oxo-2-(piperidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: Clc1ccc(cc1)COc1ccc(cc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCCC1

STK557835
Synonyms: 2-(4-{(E)-[2-({1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-fluorophenoxy)methyl]-1H-1,2,3-triazol-4-yl}carbonyl)hydrazinylidene]methyl}phenoxy)acetamide
Smiles: NC(=O)COc1ccc(cc1)/C=N/NC(=O)c1nnn(c1COc1ccc(cc1)F)c1nonc1N

STK557836
Synonyms: N-(8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzamide
Smiles: O=C(c1ccccc1)Nc1nn2c(n1)c1c(nc2)sc2c1CCCC2

STK557837
Synonyms: (6Z)-6-(1,3-benzodioxol-5-ylmethylidene)-5-imino-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C(N1CCCC1)Cc1nn2c(=NC(=O)/C(=C\c3ccc4c(c3)OCO4)/C2=N)s1

STK557839
Synonyms: 7-(4-chlorobenzyl)-1,3-dimethyl-8-{(2E)-2-[1-(4-nitrophenyl)ethylidene]hydrazinyl}-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1ccc(cc1)Cn1c(N/N=C(/c2ccc(cc2)[N+](=O)[O-])\C)nc2c1c(=O)n(c(=O)n2C)C

STK557842
Synonyms: 8-[(2E)-2-(4-ethoxybenzylidene)hydrazinyl]-1,3-dimethyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCOc1ccc(cc1)/C=N/Nc1nc2c(n1Cc1ccc(cc1)C)c(=O)n(c(=O)n2C)C