FULL DB

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

STK620975
Synonyms: (5Z)-5-[(5-methoxy-1H-indol-3-yl)methylidene]-2-(pyridin-2-ylamino)-1,3-thiazol-4(5H)-one
Smiles: COc1ccc2c(c1)c(c[nH]2)/C=C/1\SC(=NC1=O)Nc1ccccn1

STK620979
Synonyms: ethyl3-({N-[(4-hydroxyphthalazin-1-yl)acetyl]glycyl}amino)benzoate
Smiles: CCOC(=O)c1cccc(c1)NC(=O)CNC(=O)Cc1nnc(c2c1cccc2)O

STK620980
Synonyms: 2-(1,3-benzodioxol-5-yloxy)-1-[4-(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)piperazin-1-yl]ethanone
Smiles: O=C(N1CCN(CC1)C(=O)C1COc2c(O1)cccc2)COc1ccc2c(c1)OCO2

STK620982
Synonyms: (2Z)-N-(1H-benzimidazol-2-yl)-2-[(methylsulfonyl)imino]-2,3-dihydro-1,3-benzothiazole-6-carboxamide
Smiles: O=C(c1ccc2c(c1)s/c(=N\S(=O)(=O)C)/[nH]2)Nc1nc2c([nH]1)cccc2

STK620983
Synonyms: ethyl[(6-ethyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetate
Smiles: CCOC(=O)COc1cc2oc(=O)cc(c2cc1CC)C

STK620986
Synonyms: 4-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-3-methyl-4,6,7,8-tetrahydro[1,2]oxazolo[5,4-b]quinolin-5-ol
Smiles: COc1cc(ccc1O)C1C2=C(O)CC(CC2=Nc2c1c(C)no2)c1ccc(cc1)O

STK620987
Synonyms: N-(2-chlorophenyl)-4-[2-(2,5-dimethyl-1H-pyrrol-1-yl)ethyl]piperazine-1-carbothioamide
Smiles: S=C(N1CCN(CC1)CCn1c(C)ccc1C)Nc1ccccc1Cl

STK620988
Synonyms: N-(3-acetylphenyl)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-3-carboxamide
Smiles: O=C(C1CCCN(C1)S(=O)(=O)c1cccc2c1nsn2)Nc1cccc(c1)C(=O)C

STK620989
Synonyms: 7-butoxy-3-(2-hydroxypropyl)-4-methyl-2H-chromen-2-one
Smiles: CCCCOc1ccc2c(c1)oc(=O)c(c2C)CC(O)C

STK620990
Synonyms: (5E)-5-[(1-cyclohexyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-3-(4-ethoxyphenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: CCOc1ccc(cc1)N1C(=O)N=C(/C(=C\c2cc(n(c2C)C2CCCCC2)C)/C1=O)O

STK620992
Synonyms: 4-[4-(2-hydroxyethyl)piperazin-1-yl]tetrahydrothiophene-3-ol1,1-dioxide
Smiles: OCCN1CCN(CC1)C1CS(=O)(=O)CC1O

STK620994
Synonyms: 3-hydroxy-N-{4-(methylsulfanyl)-1-oxo-1-[(pyridin-2-ylmethyl)amino]butan-2-yl}quinoxaline-1(2H)-carboxamide
Smiles: CSCCC(C(=O)NCc1ccccn1)NC(=O)N1CC(=Nc2c1cccc2)O

STK620996
Synonyms: 3-methyl-3-(propan-2-yl)-3H-imidazo[1',2':1,2]pyrrolo[3,4-b]quinoline-2,5-dione
Smiles: O=C1c2cc3ccccc3nc2C2=NC(=O)C(N12)(C)C(C)C

STK620998
Synonyms: 2-(10-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)phenol
Smiles: CC1CCc2c(C1)c1c(s2)ncn2c1nnc2c1ccccc1O

STK621001
Synonyms: N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(pyrimidin-2-yl)piperidine-4-carboxamide
Smiles: O=C(C1CCN(CC1)c1ncccn1)NCCc1onc(n1)c1ccccc1

STK621004
Synonyms: 2-[(4-oxo-3-phenyl-4H-chromen-7-yl)oxy]-N-(4-phenylbutan-2-yl)acetamide
Smiles: CC(NC(=O)COc1ccc2c(c1)occ(c2=O)c1ccccc1)CCc1ccccc1

STK621005
Synonyms: (3E)-3-[(1-methyl-1H-pyrrol-2-yl)methylidene]-2-(3-phenylpropyl)-2,3-dihydro-4H-1,2-benzothiazin-4-one1,1-dioxide
Smiles: Cn1cccc1/C=C/1\C(=O)c2ccccc2S(=O)(=O)N1CCCc1ccccc1

STK621009
Synonyms: [4-(3-methoxyphenyl)piperazin-1-yl][1-(5-nitropyridin-2-yl)piperidin-4-yl]methanone
Smiles: COc1cccc(c1)N1CCN(CC1)C(=O)C1CCN(CC1)c1ccc(cn1)[N+](=O)[O-]

STK621011
Synonyms: 2-[(2-methyl-4-oxo-3-phenyl-4H-chromen-7-yl)oxy]-N-(pyridin-3-yl)acetamide
Smiles: O=C(Nc1cccnc1)COc1ccc2c(c1)oc(c(c2=O)c1ccccc1)C

STK621012
Synonyms: 5-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methoxyphenyl)-1H-1,2,3-triazole-4-carboxamide
Smiles: COc1ccc(cc1)n1nnc(c1N)C(=O)NCCc1ccc(c(c1)OC)OC

STK621014
Synonyms: 3-methyl-1,4-diphenyl-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5,7-diol
Smiles: Oc1nc(O)c2c(n1)nc1c(c2c2ccccc2)c(nn1c1ccccc1)C

STK621015
Synonyms: (6aS,6bR,9aS,10R)-N-(2,5-dimethoxyphenyl)-8-(4-methoxyphenyl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-10-carboxamide
Smiles: COc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1N([C@H]2C(=O)Nc2cc(OC)ccc2OC)c2ccccc2C=C1

STK621019
Synonyms: N-(3-acetylphenyl)-2-{[3-(2-ethoxyphenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetamide
Smiles: CCOc1ccccc1Oc1coc2c(c1=O)ccc(c2)OCC(=O)Nc1cccc(c1)C(=O)C

STK621020
Synonyms: 5-butyl-2-[4-(diphenylmethyl)piperazin-1-yl]-6-methylpyrimidin-4-ol
Smiles: CCCCc1c(C)nc(nc1O)N1CCN(CC1)C(c1ccccc1)c1ccccc1

STK621021
Synonyms: 2-[3-(2-bromophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]quinoline
Smiles: Brc1ccccc1c1nnc2n1nc(s2)c1ccc2c(n1)cccc2

STK621022
Synonyms: 5-amino-N-cyclohexyl-2-(4-methoxyphenyl)-4-methylthieno[2,3-d]pyrimidine-6-carboxamide
Smiles: COc1ccc(cc1)c1nc(C)c2c(n1)sc(c2N)C(=O)NC1CCCCC1

STK621023
Synonyms: (4E)-4-(hydroxy{4-[(3-methylbenzyl)oxy]phenyl}methylidene)-5-[4-(propan-2-yl)phenyl]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
Smiles: Cc1cccc(c1)COc1ccc(cc1)/C(=C\1/C(c2ccc(cc2)C(C)C)N(C(=O)C1=O)Cc1cccnc1)/O

STK621024
Synonyms: methyl[4-methyl-9-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)-2-oxo-9,10-dihydro-2H,8H-chromeno[8,7-e][1,3]oxazin-3-yl]acetate
Smiles: COC(=O)Cc1c(=O)oc2c(c1C)ccc1c2CN(CO1)C1(C)CCS(=O)(=O)C1

STK621025
Synonyms: 2-hydroxy-6-propyl-1-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: CCCN1CNc2c(C1)c(=O)nc(n2Cc1cccnc1)O

STK621027
Synonyms: N-hexyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine
Smiles: CCCCCCNc1nc2sc3c(c2c2n1ncn2)CCCC3

STK621029
Synonyms: (4-methoxyphenyl)[3-phenyl-5-(quinoxalin-6-yl)-4,5-dihydro-1H-pyrazol-1-yl]methanone
Smiles: COc1ccc(cc1)C(=O)N1N=C(CC1c1ccc2c(c1)nccn2)c1ccccc1

STK621033
Synonyms: N-(2-hydroxypropyl)-N'-(2-methoxydibenzo[b,d]furan-3-yl)ethanediamide
Smiles: COc1cc2c(cc1NC(=O)C(=O)NCC(O)C)oc1c2cccc1

STK621037
Synonyms: N-(3,4-dichlorobenzyl)-2-[(9-oxo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-7-yl)oxy]acetamide
Smiles: O=C(NCc1ccc(c(c1)Cl)Cl)COc1ccc2c(c1)c(=O)n1c(n2)CCC1

STK621038
Synonyms: (2E)-2-[(5E)-5-benzylidene-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-phenylethanamide
Smiles: N#C/C(=c/1\s/c(=C/c2ccccc2)/c(=O)n1c1ccccc1)/C(=O)Nc1ccccc1

STK621040
Synonyms: (2E)-2-(1,3-benzoxazol-2-yl)-3-(2-nitrophenyl)-1-[4-(propan-2-yloxy)phenyl]prop-2-en-1-one
Smiles: CC(Oc1ccc(cc1)C(=O)/C(=C/c1ccccc1[N+](=O)[O-])/c1nc2c(o1)cccc2)C

STK621041
Synonyms: (4E)-5-(4-tert-butylphenyl)-1-[2-(dimethylamino)ethyl]-4-{hydroxy[4-(propan-2-yloxy)phenyl]methylidene}pyrrolidine-2,3-dione
Smiles: CN(CCN1C(c2ccc(cc2)C(C)(C)C)/C(=C(/c2ccc(cc2)OC(C)C)\O)/C(=O)C1=O)C

STK621042
Synonyms: trans-4-({[(4-fluorophenyl)sulfonyl]amino}methyl)-N-{2-[(2-hydroxyethyl)amino]-2-oxoethyl}cyclohexanecarboxamide
Smiles: OCCNC(=O)CNC(=O)[C@@H]1CC[C@H](CC1)CNS(=O)(=O)c1ccc(cc1)F

STK621044
Synonyms: 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-dihydroquinoline-3-carboxamide
Smiles: COc1c(F)c(F)cc2c1n(cc(c2=O)C(=O)NCc1noc(n1)c1ccccc1)C1CC1

STK621046
Synonyms: N-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-1-benzofuran-2-carboxamide
Smiles: Clc1ccc(cc1)c1[nH]nc(n1)NC(=O)c1cc2c(o1)cccc2

STK621047
Synonyms: (4E)-5-(4-ethoxyphenyl)-1-(6-ethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
Smiles: CCOc1ccc(cc1)C1/C(=C(/c2ccccc2)\O)/C(=O)C(=O)N1c1sc2c(n1)ccc(c2)CC

STK621052
Synonyms: 3-(4-methylbenzyl)-2-(3-nitrophenyl)-2,3-dihydroquinazolin-4(1H)-one
Smiles: Cc1ccc(cc1)CN1C(Nc2c(C1=O)cccc2)c1cccc(c1)[N+](=O)[O-]

STK621053
Synonyms: 2-cyano-N-[(2Z)-3-(3,4-dimethoxyphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]acetamide
Smiles: N#CCC(=O)/N=C/1\SC2C(N1c1ccc(c(c1)OC)OC)CS(=O)(=O)C2

STK621055
Synonyms: N-methyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperazine-1-carbothioamide
Smiles: CNC(=S)N1CCN(CC1)CC(=O)N1CCN(CC1)C

STK621056
Synonyms: 1-(1H-indol-6-ylcarbonyl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
Smiles: COc1cc(NC(=O)C2CCCN(C2)C(=O)c2ccc3c(c2)[nH]cc3)cc(c1OC)OC

STK621057
Synonyms: N-(1-{[(5E)-1,2,3,4,10,11-hexahydro-5H-spiro[benzo[c]pyrano[3,2-g]chromene-9,1'-cyclohexan]-5-ylideneamino]oxy}-1-oxo-3-phenylpropan-2-yl)-4-methylbenzenesulfonamide
Smiles: O=C(C(NS(=O)(=O)c1ccc(cc1)C)Cc1ccccc1)O/N=c\1/oc2cc3OC4(CCCCC4)CCc3cc2c2c1CCCC2

STK621059
Synonyms: 5-[3-(4-bromophenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]-2-chlorobenzoicacid
Smiles: Brc1ccc(cc1)c1n[nH]c(=S)n1c1ccc(c(c1)C(=O)O)Cl

STK621060
Synonyms: N-{3-[(3-fluoro-4-methylphenyl)amino]-3-oxopropyl}-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carboxamide
Smiles: COc1cc2CCN(Cc2cc1OC)C(=O)NCCC(=O)Nc1ccc(c(c1)F)C

STK621061
Synonyms: ethyl4-{[(9-oxo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-7-yl)oxy]acetyl}piperazine-1-carboxylate
Smiles: CCOC(=O)N1CCN(CC1)C(=O)COc1ccc2c(c1)c(=O)n1c(n2)CCC1

STK621062
Synonyms: 3-hydroxy-N-[(5Z)-4-oxo-5-(quinolin-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]benzamide
Smiles: Oc1cccc(c1)C(=O)NN1C(=S)S/C(=C\c2ccc3c(n2)cccc3)/C1=O

STK621063
Synonyms: 2-[3-(3-chlorophenyl)-5,5-dioxido-2-thioxohexahydro-1H-thieno[3,4-d]imidazol-1-yl]-N,N-dimethylacetamide
Smiles: Clc1cccc(c1)N1C2CS(=O)(=O)CC2N(C1=S)CC(=O)N(C)C

STK621066
Synonyms: (5E)-3-methyl-5-[(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-2-thioxo-1,3-thiazolidin-4-one
Smiles: CN1C(=S)S/C(=C/c2ccc3c(c2)CCCN3C)/C1=O

STK621068
Synonyms: N-(4-{4-hydroxy-2-imino-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2,5-dihydro-1H-pyrrol-1-yl}phenyl)acetamide
Smiles: COc1ccc(cc1)c1csc(n1)C1=C(O)CN(C1=N)c1ccc(cc1)NC(=O)C

STK621069
Synonyms: 1-(1,3-benzodioxol-5-yl)-5-imino-4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2,5-dihydro-1H-pyrrol-3-ol
Smiles: COc1ccc(cc1)c1csc(n1)C1=C(O)CN(C1=N)c1ccc2c(c1)OCO2

STK621071
Synonyms: 4-{2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethoxy}benzonitrile
Smiles: N#Cc1ccc(cc1)OCCN1CCN(CC1)c1nsc2c1cccc2

STK621073
Synonyms: 2-amino-1-(3,4-dimethoxyphenyl)-N-(prop-2-en-1-yl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: C=CCNC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccc(c(c1)OC)OC

STK621077
Synonyms: 2-{4-[4-cyano-1-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]piperazin-1-yl}-2-oxo-N-(propan-2-yl)acetamide
Smiles: N#Cc1c(nc(c2c1CCC2)CC(C)C)N1CCN(CC1)C(=O)C(=O)NC(C)C

STK621078
Synonyms: (5Z)-5-{[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-3-(4-fluorophenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: Fc1ccc(cc1)N1C(=O)N=C(/C(=C/c2cc(n(c2C)c2ccc3c(c2)OCO3)C)/C1=O)O

STK621079
Synonyms: trans-N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-4-{[(phenylsulfonyl)amino]methyl}cyclohexanecarboxamide
Smiles: O=C(Nc1ccc2c(c1)OCO2)CNC(=O)[C@@H]1CC[C@H](CC1)CNS(=O)(=O)c1ccccc1

STK621082
Synonyms: 1-(azepan-1-yl)-3-[1-(piperidin-1-ylmethyl)-1H-indol-3-yl]propan-1-one
Smiles: O=C(N1CCCCCC1)CCc1cn(c2c1cccc2)CN1CCCCC1

STK621084
Synonyms: heptadecane-5,13-diol
Smiles: CCCCC(CCCCCCCC(CCCC)O)O

STK621085
Synonyms: 4-hydroxy-N-[(5Z)-4-oxo-5-(quinoxalin-5-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]benzamide
Smiles: Oc1ccc(cc1)C(=O)NN1C(=S)S/C(=C\c2cccc3c2nccn3)/C1=O

STK621090
Synonyms: N-[(4E)-8-ethoxy-6-(4-ethoxyphenyl)-1,3-dimethyl-4H-cyclohepta[c]furan-4-ylidene]-1,3-benzodioxol-5-amine
Smiles: CCOc1ccc(cc1)c1c/c(=N\c2ccc3c(c2)OCO3)/c2c(c(c1)OCC)c(oc2C)C

STK621091
Synonyms: 2,12-dimethyl-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine-7(6H)-thione
Smiles: CC1CCc2c(C1)c1c3nc(nn3c3n(c1s2)c(=S)[nH]n3)C

STK621095
Synonyms: 2-[(9-oxo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-7-yl)oxy]-N-(pyridin-4-ylmethyl)acetamide
Smiles: O=C(NCc1ccncc1)COc1ccc2c(c1)c(=O)n1c(n2)CCC1

STK621096
Synonyms: 2-(4-fluorophenyl)-N-[(2Z)-3-methyl-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]acetamide
Smiles: O=C(/N=C/1\SC2C(N1C)CS(=O)(=O)C2)Cc1ccc(cc1)F

STK621097
Synonyms: N-[(2E)-6-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonyl)-1,3-benzothiazol-2(3H)-ylidene]-4-fluorobenzenesulfonamide
Smiles: Fc1ccc(cc1)S(=O)(=O)/N=c/1\[nH]c2c(s1)cc(cc2)C(=O)N1CCC2(CC1)OCCO2

STK621098
Synonyms: N-(pyridin-4-ylmethyl)-N-[2-(pyrrolidin-1-ylsulfonyl)ethyl]formamide
Smiles: O=CN(Cc1ccncc1)CCS(=O)(=O)N1CCCC1

STK621101
Synonyms: N-(1,3-benzodioxol-5-ylmethyl)-3-{(4S)-2,5-dioxo-1-[(1S)-1-phenylethyl]imidazolidin-4-yl}propanamide
Smiles: O=C(NCc1ccc2c(c1)OCO2)CC[C@@H]1NC(=O)N(C1=O)[C@H](c1ccccc1)C

STK621102
Synonyms: N-(2,4-dichlorophenyl)-2-[(9-oxo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-7-yl)oxy]acetamide
Smiles: O=C(Nc1ccc(cc1Cl)Cl)COc1ccc2c(c1)c(=O)n1c(n2)CCC1

STK621103
Synonyms: N-(3-acetylphenyl)-2-{[3-(4-chlorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetamide
Smiles: O=C(Nc1cccc(c1)C(=O)C)COc1ccc2c(c1)oc(c(c2=O)c1ccc(cc1)Cl)C

STK621104
Synonyms: 1-(3,4-dimethoxyphenyl)-4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-imino-2,5-dihydro-1H-pyrrol-3-ol
Smiles: COc1ccc(cc1OC)c1csc(n1)C1=C(O)CN(C1=N)c1ccc(c(c1)OC)OC

STK621106
Synonyms: N-[(2S)-1-(cyclopropylamino)-4-methyl-1-oxopentan-2-yl]-1-(4-fluorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carboxamide
Smiles: COc1cc2c(cc1OC)CCN(C2c1ccc(cc1)F)C(=O)N[C@H](C(=O)NC1CC1)CC(C)C

STK621109
Synonyms: (4E)-4-[(4-chlorophenyl)(hydroxy)methylidene]-1-[2-(dimethylamino)ethyl]-5-(3-methoxyphenyl)pyrrolidine-2,3-dione
Smiles: COc1cccc(c1)C1/C(=C(/c2ccc(cc2)Cl)\O)/C(=O)C(=O)N1CCN(C)C

STK621110
Synonyms: N-[(2Z)-5-(ethylsulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-2,3-dihydro-1-benzofuran-2-carboxamide
Smiles: CCSc1n[nH]/c(=N/C(=O)C2Cc3c(O2)cccc3)/s1

STK621112
Synonyms: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-6,6-dimethyl-N-(pyridin-3-ylmethyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
Smiles: Cc1nn(c(c1)C)c1nc(NCc2cccnc2)c2c(n1)sc1c2CC(OC1)(C)C

STK621113
Synonyms: 5-(4-bromophenyl)-10-(3,4-dihydroxyphenyl)-1,3-dimethyl-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione
Smiles: Brc1ccc(cc1)c1c2c(c3n1CCOC3c1ccc(c(c1)O)O)n(C)c(=O)n(c2=O)C

STK621114
Synonyms: 5,7-dihydroxy-4-methyl-3-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-2H-chromen-2-one
Smiles: Oc1cc(O)c2c(c1)oc(=O)c(c2C)CC(=O)N1CCN(CC1)c1ccccn1

STK621115
Synonyms: 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-N-(pyridin-2-yl)-1,4-dihydroquinoline-3-carboxamide
Smiles: COc1c(F)c(F)cc2c1n(cc(c2=O)C(=O)Nc1ccccn1)C1CC1

STK621119
Synonyms: N-(9,10-dioxo-9,10-dihydroanthracen-1-yl)-2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]acetamide
Smiles: O=C(Nc1cccc2c1C(=O)c1c(C2=O)cccc1)CN1CCN(CC1)C(=O)c1ccco1

STK621120
Synonyms: N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-{[3-(4-methoxyphenyl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetamide
Smiles: COc1ccc(cc1)c1c(C)oc2c(c1=O)ccc(c2)OCC(=O)NC1CCS(=O)(=O)C1

STK621121
Synonyms: 5-amino-1-(5-chloro-2-methylphenyl)-N-(2-phenylethyl)-1H-1,2,3-triazole-4-carboxamide
Smiles: Clc1ccc(c(c1)n1nnc(c1N)C(=O)NCCc1ccccc1)C

STK621122
Synonyms: N-{2-[(2-chlorophenyl)amino]-2-oxoethyl}-1-(phenylsulfonyl)piperidine-3-carboxamide
Smiles: O=C(Nc1ccccc1Cl)CNC(=O)C1CCCN(C1)S(=O)(=O)c1ccccc1

STK621123
Synonyms: 5-imino-4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,5-dihydro-1H-pyrrol-3-ol
Smiles: COc1ccc(cc1)c1csc(n1)C1=C(O)CN(C1=N)C1CCCc2c1cccc2

STK621124
Synonyms: 6-(3-chlorobenzyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Smiles: Clc1cccc(c1)Cc1c(C)nc2n(c1O)ncn2

STK621125
Synonyms: 2-[(3-fluorobenzyl)oxy]-7,8,9,10-tetrahydroazepino[2,1-b]quinazolin-12(6H)-one
Smiles: Fc1cccc(c1)COc1ccc2c(c1)c(=O)n1c(n2)CCCCC1

STK621126
Synonyms: 5-(furan-2-yl)-2,2-dimethyl-9-(4-nitrobenzyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(9H)-one
Smiles: [O-][N+](=O)c1ccc(cc1)Cn1cnc2c(c1=O)sc1c2c2CC(C)(C)OCc2c(n1)c1ccco1

STK621127
Synonyms: 1,3,6,7-tetramethyl-8-[2-(4-methylpiperazin-1-yl)ethyl]-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: CN1CCN(CC1)CCn1c2nc3c(n2c(c1C)C)c(=O)n(c(=O)n3C)C

STK621128
Synonyms: 6,6-dimethyl-2-phenyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-ol
Smiles: Oc1nc(nc2c1c1CC(C)(C)OCc1s2)c1ccccc1

STK621129
Synonyms: methyl4-({[(2E)-2-{[(4-methoxyphenyl)sulfonyl]imino}-2,3-dihydro-1,3-benzothiazol-6-yl]carbonyl}amino)benzoate
Smiles: COc1ccc(cc1)S(=O)(=O)/N=c\1/sc2c([nH]1)ccc(c2)C(=O)Nc1ccc(cc1)C(=O)OC

STK621130
Synonyms: 1-(1,3-benzodioxol-5-yl)-5-imino-4-(4-phenyl-1,3-thiazol-2-yl)-2,5-dihydro-1H-pyrrol-3-ol
Smiles: OC1=C(c2scc(n2)c2ccccc2)C(=N)N(C1)c1ccc2c(c1)OCO2

STK621131
Synonyms: 3-(4-chlorophenyl)-8-(morpholin-4-ium-4-ylmethyl)-2-oxo-2H-chromen-7-olate
Smiles: Clc1ccc(cc1)c1cc2ccc(c(c2oc1=O)C[NH+]1CCOCC1)[O-]

STK621132
Synonyms: (5E)-3-(4-bromo-3-methylphenyl)-6-hydroxy-5-[(1-methyl-1H-indol-3-yl)methylidene]pyrimidine-2,4(3H,5H)-dione
Smiles: O=C1N=C(O)/C(=C\c2cn(c3c2cccc3)C)/C(=O)N1c1ccc(c(c1)C)Br

STK621136
Synonyms: 5-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-methyl-1-benzofuran-2-carboxamide
Smiles: Clc1ccc2c(c1)cc(o2)C(=O)N(C1CCS(=O)(=O)C1)C

STK621140
Synonyms: 3-benzyl-7-(5-bromopyridin-2-yl)-5,6-dimethyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-imine
Smiles: Brc1ccc(nc1)n1c(C)c(c2c1ncn(c2=N)Cc1ccccc1)C

STK621141
Synonyms: (5E)-5-{[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene}-3-(4-chlorophenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: Clc1ccc(cc1)N1C(=O)N=C(/C(=C\c2ccc(o2)c2ccc(c(c2)[N+](=O)[O-])Cl)/C1=O)O

STK621144
Synonyms: N-cycloheptyl-N'-(1H-indol-5-yl)ethanediamide
Smiles: O=C(C(=O)Nc1ccc2c(c1)cc[nH]2)NC1CCCCCC1

STK621149
Synonyms: 5-methyl-10-[(4-nitrophenyl)carbonyl]-8-(tetrahydrofuran-2-ylmethyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: O=C(C1C2C(=O)N(C(=O)C2C2N1c1ccccc1C(=C2)C)CC1CCCO1)c1ccc(cc1)[N+](=O)[O-]

STK621150
Synonyms: 1-(2-chloro-7H-purin-6-yl)-N-(2-hydroxyethyl)piperidine-3-carboxamide
Smiles: OCCNC(=O)C1CCCN(C1)c1nc(Cl)nc2c1[nH]cn2

STK621151
Synonyms: N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-ylsulfanyl)acetamide
Smiles: O=C(NC1CCS(=O)(=O)C1)CSc1nnc2n1c1ccccc1[nH]2

STK621154
Synonyms: (4-{(E)-[1-(4-tert-butylphenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-2-methoxyphenoxy)aceticacid
Smiles: COc1cc(ccc1OCC(=O)O)/C=C/1\C(=O)N=C(N(C1=O)c1ccc(cc1)C(C)(C)C)S

STK621155
Synonyms: 4-(1,3-benzodioxol-5-yl)-3-methyl-1-(4-methylphenyl)-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6-ol
Smiles: OC1=Nc2c(C(C1)c1ccc3c(c1)OCO3)c(nn2c1ccc(cc1)C)C

STK621156
Synonyms: (2E)-7-[(dimethylammonio)methyl]-2-[(1-methyl-1H-indol-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: C[NH+](Cc1c([O-])ccc2c1O/C(=C/c1cn(c3c1cccc3)C)/C2=O)C

STK621157
Synonyms: N-{2-[(3-methoxypropyl)carbamoyl]phenyl}-N'-(pyridin-3-ylmethyl)ethanediamide
Smiles: COCCCNC(=O)c1ccccc1NC(=O)C(=O)NCc1cccnc1

STK621158
Synonyms: (2Z)-2-{[(4-fluorophenyl)sulfonyl]imino}-N-(2-hydroxy-2-phenylethyl)-2,3-dihydro-1,3-benzothiazole-6-carboxamide
Smiles: Fc1ccc(cc1)S(=O)(=O)/N=c\1/[nH]c2c(s1)cc(cc2)C(=O)NCC(c1ccccc1)O

STK621159
Synonyms: 2-[4-(cyclopropylcarbonyl)piperazin-1-yl]-6,6-dimethyl-3-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: O=C(N1CCN(CC1)c1nc2sc3c(c2c(=O)n1C(C)C)CC(OC3)(C)C)C1CC1

STK621163
Synonyms: (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-7-{[bis(2-methylpropyl)ammonio]methyl}-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: CC(C[NH+](Cc1c([O-])ccc2c1O/C(=C\c1ccc3c(c1)OCO3)/C2=O)CC(C)C)C

STK621164
Synonyms: N~2~-(2-chloro-7H-purin-6-yl)-N-[4-(trifluoromethoxy)phenyl]glycinamide
Smiles: O=C(Nc1ccc(cc1)OC(F)(F)F)CNc1nc(Cl)nc2c1[nH]cn2

STK621167
Synonyms: 1-(5-nitropyridin-2-yl)-N-(pyridin-3-yl)piperidine-4-carboxamide
Smiles: O=C(C1CCN(CC1)c1ccc(cn1)[N+](=O)[O-])Nc1cccnc1

STK621168
Synonyms: tert-butyl[(trans-4-{[4-(pyrimidin-2-yl)piperazin-1-yl]carbonyl}cyclohexyl)methyl]carbamate
Smiles: O=C(N1CCN(CC1)c1ncccn1)[C@@H]1CC[C@H](CC1)CNC(=O)OC(C)(C)C

STK621170
Synonyms: trans-4-({[(4-chlorophenyl)sulfonyl]amino}methyl)-N-{2-[(2-methoxyethyl)amino]-2-oxoethyl}cyclohexanecarboxamide
Smiles: COCCNC(=O)CNC(=O)[C@@H]1CC[C@H](CC1)CNS(=O)(=O)c1ccc(cc1)Cl

STK621171
Synonyms: 2-{[3-(2-bromophenoxy)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}-N-(pyridin-3-yl)acetamide
Smiles: O=C(Nc1cccnc1)COc1ccc2c(c1)oc(c(c2=O)Oc1ccccc1Br)C

STK621173
Synonyms: 6-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3,5-dimethyl-7H-furo[3,2-g]chromen-7-one
Smiles: O=C(N1CCN(CC1)Cc1ccccc1)Cc1c(=O)oc2c(c1C)cc1c(c2)occ1C

STK621176
Synonyms: trans-4-({[(4-methylphenyl)sulfonyl]amino}methyl)-N-(2-{[2-(morpholin-4-yl)ethyl]amino}-2-oxoethyl)cyclohexanecarboxamide
Smiles: O=C(CNC(=O)[C@@H]1CC[C@H](CC1)CNS(=O)(=O)c1ccc(cc1)C)NCCN1CCOCC1

STK621177
Synonyms: N-[2-(diethylamino)ethyl]-2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carboxamide
Smiles: CCN(CCNC(=O)c1ccc2c(c1)sc(n2)n1cccc1)CC

STK621178
Synonyms: N-(2,4-dichlorophenyl)-1-(pyrimidin-2-yl)piperidine-4-carboxamide
Smiles: O=C(C1CCN(CC1)c1ncccn1)Nc1ccc(cc1Cl)Cl

STK621179
Synonyms: [1-(2-chloro-7H-purin-6-yl)piperidin-3-yl][4-(4-methoxyphenyl)piperazin-1-yl]methanone
Smiles: COc1ccc(cc1)N1CCN(CC1)C(=O)C1CCCN(C1)c1nc(Cl)nc2c1[nH]cn2

STK621181
Synonyms: 4-butoxy-N-[(2Z)-5-(2-methoxyphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]benzamide
Smiles: CCCCOc1ccc(cc1)C(=O)/N=c\1/[nH]nc(s1)c1ccccc1OC

STK621189
Synonyms: (4E)-1-[2-(diethylamino)ethyl]-4-(hydroxy{4-[(3-methylbenzyl)oxy]phenyl}methylidene)-5-(3-methoxyphenyl)pyrrolidine-2,3-dione
Smiles: CCN(CCN1C(c2cccc(c2)OC)/C(=C(/c2ccc(cc2)OCc2cccc(c2)C)\O)/C(=O)C1=O)CC

STK621190
Synonyms: N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]thiophene-2-carboxamide
Smiles: O=C(c1cccs1)NCC(c1ccco1)N(C)C

STK621191
Synonyms: 1-(2-chloro-7H-purin-6-yl)-N-(3-hydroxypropyl)piperidine-3-carboxamide
Smiles: OCCCNC(=O)C1CCCN(C1)c1nc(Cl)nc2c1[nH]cn2

STK621192
Synonyms: 2,2-dimethyl-9-(2-phenylethyl)-5-(propan-2-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(9H)-one
Smiles: CC(c1nc2sc3c(c2c2c1COC(C2)(C)C)ncn(c3=O)CCc1ccccc1)C

STK621195
Synonyms: 4-[4-(benzyloxy)phenyl]-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6-ol
Smiles: OC1=Nc2c(C(C1)c1ccc(cc1)OCc1ccccc1)c(nn2c1nc(C)cc(n1)C)C

STK621197
Synonyms: 5-imino-4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(2-phenylethyl)-2,5-dihydro-1H-pyrrol-3-ol
Smiles: COc1ccc(cc1)c1csc(n1)C1=C(O)CN(C1=N)CCc1ccccc1

STK621198
Synonyms: (5E)-3-(4-chlorophenyl)-6-hydroxy-5-{[1-(2-nitrobenzyl)-1H-indol-3-yl]methylidene}pyrimidine-2,4(3H,5H)-dione
Smiles: Clc1ccc(cc1)N1C(=O)N=C(/C(=C\c2cn(c3c2cccc3)Cc2ccccc2[N+](=O)[O-])/C1=O)O

STK621199
Synonyms: 5-(2,4-dichlorophenyl)-4-(pyridin-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Clc1ccc(c(c1)Cl)c1n[nH]c(=S)n1c1cccnc1

STK621201
Synonyms: 2-[(4,7-dimethylquinazolin-2-yl)amino]-6-[(pyridin-2-ylsulfanyl)methyl]pyrimidin-4-ol
Smiles: Cc1ccc2c(c1)nc(nc2C)Nc1nc(CSc2ccccn2)cc(n1)O

STK621203
Synonyms: (2E)-2-{[(4-fluorophenyl)sulfonyl]imino}-N-(pyridin-3-ylmethyl)-2,3-dihydro-1,3-benzothiazole-6-carboxamide
Smiles: Fc1ccc(cc1)S(=O)(=O)/N=c/1\[nH]c2c(s1)cc(cc2)C(=O)NCc1cccnc1

STK621204
Synonyms: 1-[(4-methoxyphenyl)sulfonyl]-N-[3-oxo-3-(pyridin-2-ylamino)propyl]piperidine-3-carboxamide
Smiles: COc1ccc(cc1)S(=O)(=O)N1CCCC(C1)C(=O)NCCC(=O)Nc1ccccn1

STK621205
Synonyms: (2E)-2-cyano-2-[(5E)-4-oxo-3-phenyl-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-phenylethanamide
Smiles: N#C/C(=c/1\s/c(=C/c2cccnc2)/c(=O)n1c1ccccc1)/C(=O)Nc1ccccc1

STK621207
Synonyms: 11-methyl-N-[3-(morpholin-4-yl)propyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine
Smiles: CC1CCCc2c1c1c(s2)nc(n2c1ncn2)NCCCN1CCOCC1

STK621208
Synonyms: (4E)-5-(3,4-dimethoxyphenyl)-1-[3-(dimethylamino)propyl]-4-{hydroxy[4-(propan-2-yloxy)phenyl]methylidene}pyrrolidine-2,3-dione
Smiles: COc1cc(ccc1OC)C1N(CCCN(C)C)C(=O)C(=O)/C/1=C(\c1ccc(cc1)OC(C)C)/O

STK621210
Synonyms: (4E)-5-(4-hydroxy-3-methoxyphenyl)-4-[hydroxy(5-methylfuran-2-yl)methylidene]-1-(3-methoxypropyl)pyrrolidine-2,3-dione
Smiles: COCCCN1C(=O)C(=O)/C(=C(\c2ccc(o2)C)/O)/C1c1ccc(c(c1)OC)O

STK621211
Synonyms: N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-5-methoxy-1,2-dimethyl-1H-indole-3-carbohydrazide
Smiles: COc1ccc2c(c1)c(C(=O)N/N=C/c1ccc(cc1)N(C)C)c(n2C)C

STK621214
Synonyms: trans-4-[({[4-(acetylamino)phenyl]sulfonyl}amino)methyl]-N-(cyanomethyl)cyclohexanecarboxamide
Smiles: N#CCNC(=O)[C@@H]1CC[C@H](CC1)CNS(=O)(=O)c1ccc(cc1)NC(=O)C

STK621215
Synonyms: (4E)-1-[3-(dimethylamino)propyl]-4-[hydroxy(4-methoxyphenyl)methylidene]-5-[4-(propan-2-yl)phenyl]pyrrolidine-2,3-dione
Smiles: COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)C)CCCN(C)C)/O

STK621216
Synonyms: [4-(4-chlorophenyl)piperazin-1-yl][2-(1H-pyrrol-1-yl)-1,3-benzothiazol-6-yl]methanone
Smiles: Clc1ccc(cc1)N1CCN(CC1)C(=O)c1ccc2c(c1)sc(n2)n1cccc1

STK621218
Synonyms: 3-(1,3-benzodioxol-5-yl)-10-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CC1CCc2c(C1)c1c(s2)ncn2c1nnc2c1ccc2c(c1)OCO2

STK621219
Synonyms: (E)-1-(naphthalen-2-ylsulfonyl)-N-(5-propyl-1,3,4-thiadiazol-2(3H)-ylidene)prolinamide
Smiles: CCCc1n[nH]/c(=N\C(=O)C2CCCN2S(=O)(=O)c2ccc3c(c2)cccc3)/s1

STK621223
Synonyms: [4-(1,3-benzothiazol-2-yl)piperidin-1-yl](5-chloro-1-benzofuran-2-yl)methanone
Smiles: Clc1ccc2c(c1)cc(o2)C(=O)N1CCC(CC1)c1nc2c(s1)cccc2

STK621225
Synonyms: N-(4-acetylphenyl)-2-[(2-methyl-4-oxo-3-phenoxy-4H-chromen-7-yl)oxy]acetamide
Smiles: O=C(Nc1ccc(cc1)C(=O)C)COc1ccc2c(c1)oc(c(c2=O)Oc1ccccc1)C

STK621226
Synonyms: N-[(2E)-1,3-benzothiazol-2(3H)-ylidene]-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
Smiles: O=C(C1CSC2N1C(=O)c1c2cccc1)/N=c\1/sc2c([nH]1)cccc2

STK621227
Synonyms: N-ethyl-N-[(6-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-2-(4-methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)CC(=O)N(Cc1cc2cc(OC)ccc2[nH]c1=O)CC

STK621228
Synonyms: (4E)-4-({[2-(5-methoxy-1H-indol-3-yl)ethyl]amino}methylidene)-2-(2-methoxyphenyl)isoquinoline-1,3(2H,4H)-dione
Smiles: COc1ccc2c(c1)c(CCN/C=C/1\c3ccccc3C(=O)N(C1=O)c1ccccc1OC)c[nH]2

STK621229
Synonyms: (3E)-2-benzyl-3-(pyridin-4-ylmethylidene)-2,3-dihydro-4H-1,2-benzothiazin-4-one1,1-dioxide
Smiles: O=C1/C(=C\c2ccncc2)/N(Cc2ccccc2)S(=O)(=O)c2c1cccc2

STK621230
Synonyms: 1-(3,4-dimethoxybenzyl)-1-(furan-2-ylmethyl)-3-[3-(morpholin-4-yl)propyl]thiourea
Smiles: COc1ccc(cc1OC)CN(C(=S)NCCCN1CCOCC1)Cc1ccco1

STK621231
Synonyms: N-(4-chloro-1,1-dioxidotetrahydrothiophen-3-yl)-2-phenoxyacetamide
Smiles: ClC1CS(=O)(=O)CC1NC(=O)COc1ccccc1

STK621232
Synonyms: 1-(2-chloro-7H-purin-6-yl)-N-(3-hydroxypropyl)piperidine-4-carboxamide
Smiles: OCCCNC(=O)C1CCN(CC1)c1nc(Cl)nc2c1[nH]cn2

STK621233
Synonyms: N-(4-chlorophenyl)-2-(9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-ylsulfanyl)acetamide
Smiles: O=C(Nc1ccc(cc1)Cl)CSc1nnc2n1c1ccccc1[nH]2

STK621234
Synonyms: (5E)-3-(3-hydroxyphenyl)-5-(quinolin-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: Oc1cccc(c1)N1C(=S)S/C(=C/c2ccc3c(n2)cccc3)/C1=O

STK621235
Synonyms: N-[(2Z)-3-(4-chlorophenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-cyanoacetamide
Smiles: N#CCC(=O)/N=C/1\SC2C(N1c1ccc(cc1)Cl)CS(=O)(=O)C2

STK621236
Synonyms: 3-(4-bromophenyl)-8-[(dimethylammonio)methyl]-2-methyl-4-oxo-4H-chromen-7-olate
Smiles: C[NH+](Cc1c([O-])ccc2c1oc(C)c(c2=O)c1ccc(cc1)Br)C

STK621238
Synonyms: 3-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)-N-(pyridin-2-yl)propanamide
Smiles: O=C(Nc1ccccn1)CCn1c(O)nc2c(c1=O)cccc2

STK621240
Synonyms: 2-[(5E)-5-(3-chlorobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[(3S,4R)-4-hydroxytetrahydrothiophen-3-yl]acetamide
Smiles: O=C(CN1C(=O)S/C(=C/c2cccc(c2)Cl)/C1=O)N[C@@H]1CSC[C@@H]1O

STK621241
Synonyms: 1-[(4-chlorophenyl)sulfonyl]-N-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-4-carboxamide
Smiles: CC(NC(=O)CCNC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)Cl)C

STK621244
Synonyms: 2-(propan-2-yl)-3-(3,4,5-trimethoxybenzyl)-3,4-dihydro-2H-1,2-benzothiazin-4-ol1,1-dioxide
Smiles: COc1cc(CC2C(O)c3ccccc3S(=O)(=O)N2C(C)C)cc(c1OC)OC

STK621245
Synonyms: N,N-dimethyl-N'-(11-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)ethane-1,2-diamine
Smiles: CN(CCNc1nc2sc3c(c2c2n1ncn2)C(C)CCC3)C

STK621246
Synonyms: 4-(2,4-dimethoxyphenyl)-7-(4-methoxyphenyl)-3-methyl-4,6,7,8-tetrahydro[1,2]oxazolo[5,4-b]quinolin-5-ol
Smiles: COc1ccc(cc1)C1CC(=C2C(=Nc3c(C2c2ccc(cc2OC)OC)c(no3)C)C1)O

STK621247
Synonyms: 1-(9-fluoro-2,3-dimethyl-6H-indolo[2,3-b]quinoxalin-6-yl)propan-2-one
Smiles: Fc1ccc2c(c1)c1nc3cc(C)c(cc3nc1n2CC(=O)C)C

STK621248
Synonyms: (5E)-3-(3-bromophenyl)-5-[(1-cyclohexyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: Brc1cccc(c1)N1C(=O)N=C(/C(=C\c2cc(n(c2C)C2CCCCC2)C)/C1=O)O

STK621249
Synonyms: (4E)-4-[(4-bromophenyl)(hydroxy)methylidene]-5-(2,5-dimethoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione
Smiles: COc1ccc(cc1C1N(c2noc(c2)C)C(=O)C(=O)/C/1=C(\c1ccc(cc1)Br)/O)OC

STK621250
Synonyms: 5-amino-1-(3-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-1,2,3-triazole-4-carboxamide
Smiles: COc1cc(CCNC(=O)c2nnn(c2N)c2cccc(c2)Cl)ccc1OC

STK621253
Synonyms: N-[1-butyl-2-hydroxy-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]-3-phenylpropanamide
Smiles: CCCCN1C(=NC(C1=O)(NC(=O)CCc1ccccc1)C(F)(F)F)O

STK621254
Synonyms: 2-{4-[4-cyano-1-(furan-2-yl)-5,6,7,8-tetrahydroisoquinolin-3-yl]piperazin-1-yl}-N-(2-hydroxypropyl)-2-oxoacetamide
Smiles: N#Cc1c(nc(c2c1CCCC2)c1ccco1)N1CCN(CC1)C(=O)C(=O)NCC(O)C

STK621256
Synonyms: 2-(3-tert-butyl-4,9-dimethyl-7-oxo-7H-furo[2,3-f]chromen-8-yl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)c1occ(c1c(c2)C)C(C)(C)C)NCCc1cnc[nH]1

STK621258
Synonyms: (2E)-2-[(1-ethyl-5-methoxy-1H-indol-3-yl)methylidene]-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: CCN1CC[NH+](CC1)Cc1c([O-])ccc2c1O/C(=C/c1cn(c3c1cc(OC)cc3)CC)/C2=O

STK621259
Synonyms: N-[(4-methoxy-1H-indol-2-yl)carbonyl]glycine
Smiles: COc1cccc2c1cc([nH]2)C(=O)NCC(=O)O

STK621260
Synonyms: N-{3-(1H-benzimidazol-2-yl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-dimethyl-1H-pyrrol-2-yl}-3-methylbutanamide
Smiles: COc1cc(ccc1OC)CCn1c(NC(=O)CC(C)C)c(c(c1C)C)c1nc2c([nH]1)cccc2

STK621261
Synonyms: [1-(2-chloro-7H-purin-6-yl)piperidin-4-yl][4-(4-fluorophenyl)piperazin-1-yl]methanone
Smiles: Fc1ccc(cc1)N1CCN(CC1)C(=O)C1CCN(CC1)c1nc(Cl)nc2c1[nH]cn2

STK621262
Synonyms: 6-chloro-3-[5-(furan-2-yl)-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl]-1-methyl-4-phenylquinolin-2(1H)-one
Smiles: CCC(=O)N1N=C(CC1c1ccco1)c1c(c2ccccc2)c2cc(Cl)ccc2n(c1=O)C

STK621263
Synonyms: 5-(4-amino-2,6-dihydroxypyrimidin-5-yl)-6-(2,5-dimethylthiophen-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diol
Smiles: Oc1nc(N)c(c(n1)O)c1c([nH]c2c1c(O)nc(n2)O)c1cc(sc1C)C

STK621265
Synonyms: 5-amino-1-(3,4-dimethoxyphenyl)-N-(3-methoxybenzyl)-1H-1,2,3-triazole-4-carboxamide
Smiles: COc1cccc(c1)CNC(=O)c1nnn(c1N)c1ccc(c(c1)OC)OC

STK621266
Synonyms: N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-2-{[3-(2-methoxyphenoxy)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetamide
Smiles: COc1ccccc1Oc1c(C)oc2c(c1=O)ccc(c2)OCC(=O)NC1C=CS(=O)(=O)C1

STK621267
Synonyms: N-(1H-indol-5-yl)-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide
Smiles: COc1ccc(cc1)c1scc(n1)CC(=O)Nc1ccc2c(c1)cc[nH]2

STK621270
Synonyms: N-benzyl-5-(4,4-dimethyl-1,1-dioxido-3-oxo-1,2-thiazolidin-2-yl)-2-methoxybenzenesulfonamide
Smiles: COc1ccc(cc1S(=O)(=O)NCc1ccccc1)N1C(=O)C(CS1(=O)=O)(C)C

STK621272
Synonyms: 6-bromo-2-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]-3-(2-methylphenyl)quinazolin-4(3H)-one
Smiles: Brc1ccc(c(c1)/C=C/c1nc2ccc(cc2c(=O)n1c1ccccc1C)Br)O

STK621273
Synonyms: N-{4-[2-(naphthalen-1-yl)-4-oxo-1,4-dihydroquinazolin-3(2H)-yl]phenyl}acetamide
Smiles: CC(=O)Nc1ccc(cc1)N1C(=O)c2ccccc2NC1c1cccc2c1cccc2

STK621277
Synonyms: 2-{4-[5-cyano-3,3-dimethyl-8-(propan-2-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl]piperazin-1-yl}-N-(2-hydroxyethyl)-2-oxoacetamide
Smiles: OCCNC(=O)C(=O)N1CCN(CC1)c1nc(C(C)C)c2c(c1C#N)CC(OC2)(C)C

STK621279
Synonyms: 1-[(4-fluorophenyl)sulfonyl]-N-{(2S)-1-oxo-1-[(pyridin-2-ylmethyl)amino]propan-2-yl}piperidine-3-carboxamide
Smiles: O=C([C@@H](NC(=O)C1CCCN(C1)S(=O)(=O)c1ccc(cc1)F)C)NCc1ccccn1

STK621280
Synonyms: propan-2-yl(2Z)-2-{[(4-methoxyphenoxy)acetyl]imino}-2,3-dihydro-1,3-benzothiazole-6-carboxylate
Smiles: COc1ccc(cc1)OCC(=O)/N=c/1\sc2c([nH]1)ccc(c2)C(=O)OC(C)C

STK621283
Synonyms: 3-(3-chlorophenyl)-1-[(2-oxo-1,2-dihydroquinolin-4-yl)methyl]-1-propan-2-ylurea
Smiles: Clc1cccc(c1)NC(=O)N(C(C)C)Cc1cc(=O)[nH]c2c1cccc2

STK621284
Synonyms: (2Z)-7-{[bis(2-methylpropyl)ammonio]methyl}-2-(2-chlorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: CC(C[NH+](Cc1c([O-])ccc2c1O/C(=C\c1ccccc1Cl)/C2=O)CC(C)C)C

STK621285
Synonyms: N-tert-butyl-N'-{2-[(pyridin-3-ylmethyl)carbamoyl]phenyl}ethanediamide
Smiles: O=C(C(=O)Nc1ccccc1C(=O)NCc1cccnc1)NC(C)(C)C

STK621286
Synonyms: 7-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]-3-phenyl-4H-chromen-4-one
Smiles: CC1CC(C)CN(C1)C(=O)COc1ccc2c(c1)occ(c2=O)c1ccccc1

STK621290
Synonyms: 5-(propan-2-yl)-9-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8(9H)-one
Smiles: C=CCn1cnc2c(c1=O)sc1c2c2CCCCc2c(n1)C(C)C

STK621291
Synonyms: (4E)-5-(4-ethoxy-3-methoxyphenyl)-4-[hydroxy(4-methoxy-3-methylphenyl)methylidene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione
Smiles: COCCN1C(=O)C(=O)/C(=C(\c2ccc(c(c2)C)OC)/O)/C1c1ccc(c(c1)OC)OCC

STK621294
Synonyms: [4-(4-fluorophenyl)piperazin-1-yl][2-(1H-pyrrol-1-yl)-1,3-benzothiazol-6-yl]methanone
Smiles: Fc1ccc(cc1)N1CCN(CC1)C(=O)c1ccc2c(c1)sc(n2)n1cccc1

STK621296
Synonyms: N-(5-chloropyridin-2-yl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide
Smiles: Clc1ccc(nc1)NC(=O)C(=O)N1CCN(CC1)c1ccccc1

STK621298
Synonyms: 2-phenyl-5-[(pyrimidin-2-ylsulfanyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Smiles: Oc1cc(CSc2ncccn2)nc2n1nc(n2)c1ccccc1

STK621299
Synonyms: 7-cyclohexyl-5,6-dimethyl-3-[3-(morpholin-4-yl)propyl]-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-imine
Smiles: Cc1c(C)n(c2c1c(=N)n(CCCN1CCOCC1)cn2)C1CCCCC1

STK621301
Synonyms: (2E)-7-(azepanium-1-ylmethyl)-2-[(1-ethyl-5-methoxy-1H-indol-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: COc1ccc2c(c1)c(/C=C\1/Oc3c(C1=O)ccc(c3C[NH+]1CCCCCC1)[O-])cn2CC

STK621303
Synonyms: 1-(4-benzylpiperazin-1-yl)-2-[(2-chloro-7H-purin-6-yl)amino]ethanone
Smiles: O=C(N1CCN(CC1)Cc1ccccc1)CNc1nc(Cl)nc2c1[nH]cn2

STK621305
Synonyms: 6-methoxy-3-(phenylcarbonyl)-4H-chromen-4-one
Smiles: COc1ccc2c(c1)c(=O)c(co2)C(=O)c1ccccc1

STK621307
Synonyms: N-(3-phenylpropyl)-2-(7H-purin-6-ylsulfanyl)propanamide
Smiles: O=C(C(Sc1ncnc2c1[nH]cn2)C)NCCCc1ccccc1

STK621309
Synonyms: N,3-dimethyl-N-[(7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]butanamide
Smiles: CC(CC(=O)N(Cc1cc2ccc(cc2[nH]c1=O)C)C)C

STK621311
Synonyms: 3-tert-butyl-6-{3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxopropyl}-5-methyl-7H-furo[3,2-g]chromen-7-one
Smiles: OCCN1CCN(CC1)C(=O)CCc1c(=O)oc2c(c1C)cc1c(c2)occ1C(C)(C)C

STK621313
Synonyms: 4-(4-hydroxy-3,5-dimethoxyphenyl)-3,7,7-trimethyl-1-phenyl-4,6,7,8-tetrahydro-1H-pyrazolo[3,4-b]quinolin-5-ol
Smiles: COc1cc(cc(c1O)OC)C1C2=C(O)CC(CC2=Nc2c1c(C)nn2c1ccccc1)(C)C

STK621316
Synonyms: N-(4-methylphenyl)-4-[2-(pyridin-4-yl)ethyl]-1,4-diazepane-1-carbothioamide
Smiles: Cc1ccc(cc1)NC(=S)N1CCCN(CC1)CCc1ccncc1

STK621318
Synonyms: (4E)-4-[(4-chlorophenyl)(hydroxy)methylidene]-1-[3-(diethylamino)propyl]-5-(pyridin-2-yl)pyrrolidine-2,3-dione
Smiles: CCN(CCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)Cl)/O)/C1c1ccccn1)CC

STK621319
Synonyms: (4E)-4-[hydroxy(4-methoxyphenyl)methylidene]-1-[3-(morpholin-4-yl)propyl]-5-[4-(propan-2-yl)phenyl]pyrrolidine-2,3-dione
Smiles: COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)C)CCCN1CCOCC1)/O

STK621320
Synonyms: 2-{[3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-N-(3,4,5-trimethoxyphenyl)acetamide
Smiles: COc1ccc(cc1)c1coc2c(c1=O)ccc(c2)OCC(=O)Nc1cc(OC)c(c(c1)OC)OC

STK621321
Synonyms: 1-(3,4-dimethoxybenzyl)-5-imino-4-(4-methyl-1,3-thiazol-2-yl)-2,5-dihydro-1H-pyrrol-3-ol
Smiles: COc1cc(ccc1OC)CN1CC(=C(C1=N)c1scc(n1)C)O

STK621323
Synonyms: N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-[(5Z)-5-(2-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanamide
Smiles: O=C(NC1CCS(=O)(=O)C1)CCN1C(=S)S/C(=C\c2ccccc2F)/C1=O

STK621324
Synonyms: 4-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)-N-(pyridin-3-ylmethyl)butanamide
Smiles: O=C(NCc1cccnc1)CCCn1c(O)nc2c(c1=O)cccc2

STK621325
Synonyms: N-[(2Z)-3-(1,3-benzodioxol-5-yl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-4-chlorobenzamide
Smiles: Clc1ccc(cc1)C(=O)/N=C/1\SC2C(N1c1ccc3c(c1)OCO3)CS(=O)(=O)C2

STK621327
Synonyms: (4E)-4-{hydroxy[3-methyl-4-(2-methylpropoxy)phenyl]methylidene}-1-(2-methoxyethyl)-5-(pyridin-4-yl)pyrrolidine-2,3-dione
Smiles: COCCN1C(c2ccncc2)/C(=C(/c2ccc(c(c2)C)OCC(C)C)\O)/C(=O)C1=O

STK621333
Synonyms: N-(4-hydroxy-1,1-dioxidotetrahydrothiophen-3-yl)-3-(5-methoxy-4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-3-yl)propanamide
Smiles: COc1cc2OC(C)(C)CCc2c2c1c(C)c(CCC(=O)NC1CS(=O)(=O)CC1O)c(=O)o2

STK621336
Synonyms: N-(5-bromo-1-ethyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N'-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]ethanediamide
Smiles: CCN1C(=O)C(c2c1ccc(c2)Br)NC(=O)C(=O)NCC(c1ccc(cc1)O)O

STK621337
Synonyms: 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-N-methylpiperidine-1-carbothioamide
Smiles: CNC(=S)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1

STK621339
Synonyms: N-[(2Z)-2-[(3-methylbutanoyl)imino]-4-(thiophen-2-yl)-2,3-dihydro-1,3-thiazol-5-yl]furan-2-carboxamide
Smiles: CC(CC(=O)/N=c\1/[nH]c(c(s1)NC(=O)c1ccco1)c1cccs1)C

STK621341
Synonyms: N-(2-{[2-(5-chloro-1H-indol-3-yl)ethyl]carbamoyl}phenyl)-N'-[(2R)-2-hydroxypropyl]ethanediamide
Smiles: C[C@H](CNC(=O)C(=O)Nc1ccccc1C(=O)NCCc1c[nH]c2c1cc(Cl)cc2)O

STK621342
Synonyms: 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-N-[(2Z)-4-methyl-1,3-thiazol-2(3H)-ylidene]-4-oxo-1,4-dihydroquinoline-3-carboxamide
Smiles: CCN1CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)/N=c/1\scc([nH]1)C

STK621346
Synonyms: N-(1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide
Smiles: O=C1N(C)c2c(C1NC(=O)C13CC4CC(C3)CC(C1)C4)cccc2

STK621348
Synonyms: N-benzyl-2-[4-(4-cyano-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)piperazin-1-yl]-2-oxoacetamide
Smiles: N#Cc1c(nc(c2c1CCC2)c1ccccc1)N1CCN(CC1)C(=O)C(=O)NCc1ccccc1

STK621350
Synonyms: N-(2-chlorobenzyl)-2-[(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)oxy]acetamide
Smiles: O=C(NCc1ccccc1Cl)COc1ccc2c(c1)c(=O)n1c(n2)CCCCC1

STK621353
Synonyms: 1-(3,5-dichlorophenyl)-5-imino-4-(4-methyl-1,3-thiazol-2-yl)-2,5-dihydro-1H-pyrrol-3-ol
Smiles: Clc1cc(Cl)cc(c1)N1CC(=C(C1=N)c1scc(n1)C)O

STK621355
Synonyms: 4-(2,3-dimethoxyphenyl)-1-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6-ol
Smiles: COc1ccc(cc1)n1nc(c2c1N=C(O)CC2c1cccc(c1OC)OC)c1ccccc1

STK621356
Synonyms: N-(1,3-benzodioxol-5-yl)-5-(4,4-dimethyl-1,1-dioxido-3-oxo-1,2-thiazolidin-2-yl)-2-methoxybenzenesulfonamide
Smiles: COc1ccc(cc1S(=O)(=O)Nc1ccc2c(c1)OCO2)N1C(=O)C(CS1(=O)=O)(C)C

STK621359
Synonyms: 4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-[4-(furan-2-yl)butan-2-yl]-5-imino-2,5-dihydro-1H-pyrrol-3-ol
Smiles: COc1cc(ccc1OC)c1csc(n1)C1=C(O)CN(C1=N)C(CCc1ccco1)C

STK621362
Synonyms: 3-methoxy-N-[5-oxo-2-phenyl-1-(propan-2-yl)-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]benzamide
Smiles: COc1cccc(c1)C(=O)NC1(N=C(N(C1=O)C(C)C)c1ccccc1)C(F)(F)F

STK621363
Synonyms: (3R)-N-(2,4-dichlorophenyl)-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
Smiles: Clc1ccc(c(c1)Cl)NC(=O)[C@@H]1CSC2N1C(=O)c1c2cccc1

STK621365
Synonyms: (5Z)-3-(3,5-dimethylphenyl)-6-hydroxy-5-[(2-methyl-1,5-diphenyl-1H-pyrrol-3-yl)methylidene]pyrimidine-2,4(3H,5H)-dione
Smiles: Cc1cc(C)cc(c1)N1C(=O)N=C(/C(=C/c2cc(n(c2C)c2ccccc2)c2ccccc2)/C1=O)O

STK621367
Synonyms: N-(2-{[2-(5-chloro-1H-indol-3-yl)ethyl]carbamoyl}phenyl)-N'-(propan-2-yl)ethanediamide
Smiles: CC(NC(=O)C(=O)Nc1ccccc1C(=O)NCCc1c[nH]c2c1cc(Cl)cc2)C

STK621368
Synonyms: 6-(2-bromophenyl)-3-(5-bromopyridin-3-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: Brc1cncc(c1)c1nnc2n1nc(s2)c1ccccc1Br

STK621371
Synonyms: (4-butoxyphenyl)({[(Z)-(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methylidene]amino}oxy)methanone
Smiles: CCCCOc1ccc(cc1)C(=O)O/N=C(\c1nccc2c1cc(OC)c(c2)OC)/c1ccc(c(c1)OC)OC

STK621374
Synonyms: (4E)-4-[hydroxy(4-methylphenyl)methylidene]-1-[2-(morpholin-4-yl)ethyl]-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione
Smiles: COc1c(OC)cc(cc1OC)C1/C(=C(/c2ccc(cc2)C)\O)/C(=O)C(=O)N1CCN1CCOCC1

STK621375
Synonyms: 8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-5-thiol
Smiles: Sc1nc2sc3c(c2c2n1ncn2)CCCC3

STK621376
Synonyms: 6-{3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl}-3,5-dimethyl-7H-furo[3,2-g]chromen-7-one
Smiles: O=C(N1CCC(CC1)c1nc2c([nH]1)cccc2)CCc1c(=O)oc2c(c1C)cc1c(c2)occ1C

STK621378
Synonyms: N-(3-bromophenyl)-2-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)ccc(c2)O)Nc1cccc(c1)Br

STK621381
Synonyms: (5E)-3-(4-acetylphenyl)-5-(2H-chromen-3-ylmethylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: S=C1S/C(=C/C2=Cc3c(OC2)cccc3)/C(=O)N1c1ccc(cc1)C(=O)C

STK621382
Synonyms: ethyl4-(2-methoxyphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-oxo-1,4,5,6-tetrahydropyrimidine-5-carboxylate
Smiles: CCOC(=O)C1C(=O)NC(=NC1c1ccccc1OC)N1CCN(CC1)c1ccccc1OC

STK621383
Synonyms: (5E)-3-(furan-2-ylmethyl)-5-[(7-hydroxy-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-8-yl)methylidene]-2-thioxo-1,3-thiazolidin-4-one
Smiles: S=C1S/C(=C/c2cc3cc4OCCOc4cc3nc2O)/C(=O)N1Cc1ccco1

STK621384
Synonyms: 6-[(dimethylammonio)methyl]-7-methyl-2-oxo-4-phenyl-2H-chromen-5-olate
Smiles: C[NH+](Cc1c(C)cc2c(c1[O-])c(cc(=O)o2)c1ccccc1)C

STK621385
Synonyms: ethyl4-(5-{(Z)-[1-(4-methylphenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}furan-2-yl)benzoate
Smiles: CCOC(=O)c1ccc(cc1)c1ccc(o1)/C=C\1/C(=O)N=C(N(C1=O)c1ccc(cc1)C)S

STK621387
Synonyms: 2-(4-methoxyphenyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]quinoline-4-carboxamide
Smiles: COc1ccc(cc1)c1nc2ccccc2c(c1)C(=O)NCCc1onc(n1)c1ccccc1

STK621391
Synonyms: (2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylidene]-7-[(2-methylpiperidinium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: Brc1cc(/C=C/2\Oc3c(C2=O)ccc(c3C[NH+]2CCCCC2C)[O-])c2c(c1)COCO2

STK621392
Synonyms: 4-(4-benzylpiperazin-1-yl)tetrahydrothiophene-3-ol1,1-dioxide
Smiles: OC1CS(=O)(=O)CC1N1CCN(CC1)Cc1ccccc1

STK621393
Synonyms: (2Z)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylidene]-7-[(3,5-dimethylpiperidinium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: CC1C[NH+](CC(C1)C)Cc1c([O-])ccc2c1O/C(=C\c1cc(Cl)cc3c1OCOC3)/C2=O

STK621396
Synonyms: N-[(4E)-8-methoxy-6-(4-methoxyphenyl)-1,3-dimethyl-4H-cyclohepta[c]furan-4-ylidene]-1,3-benzodioxol-5-amine
Smiles: COc1ccc(cc1)c1c/c(=N\c2ccc3c(c2)OCO3)/c2c(c(c1)OC)c(oc2C)C

STK621399
Synonyms: N~2~-(diphenylacetyl)-N-(pyridin-2-ylmethyl)-L-valinamide
Smiles: CC([C@@H](C(=O)NCc1ccccn1)NC(=O)C(c1ccccc1)c1ccccc1)C

STK621400
Synonyms: (5E)-3-(4-bromophenyl)-6-hydroxy-5-({5-[3-(trifluoromethyl)phenyl]furan-2-yl}methylidene)pyrimidine-2,4(3H,5H)-dione
Smiles: Brc1ccc(cc1)N1C(=O)N=C(/C(=C\c2ccc(o2)c2cccc(c2)C(F)(F)F)/C1=O)O

STK621401
Synonyms: 1-cyclopropyl-4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-imino-2,5-dihydro-1H-pyrrol-3-ol
Smiles: COc1cc(ccc1OC)c1csc(n1)C1=C(O)CN(C1=N)C1CC1

STK621402
Synonyms: 7-hydroxy-4,8-dimethyl-3-{3-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-3-oxopropyl}-2H-chromen-2-one
Smiles: O=C(N1CCN(CC1)c1cc(C)c2c(n1)cccc2)CCc1c(=O)oc2c(c1C)ccc(c2C)O

STK621405
Synonyms: (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-[3-(1H-imidazol-1-yl)propyl]-5-(3-propoxyphenyl)pyrrolidine-2,3-dione
Smiles: CCCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1CCCn1ccnc1

STK621407
Synonyms: 1-(3-fluorophenyl)-3-methyl-4-[2-(prop-2-en-1-yloxy)phenyl]-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6-ol
Smiles: C=CCOc1ccccc1C1CC(=Nc2c1c(C)nn2c1cccc(c1)F)O

STK621408
Synonyms: 2-(5,7-dihydroxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-(4H-1,2,4-triazol-4-yl)acetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)c(O)cc(c2)O)Nn1cnnc1

STK621409
Synonyms: 5-bromo-N-(quinolin-5-yl)pyridine-3-carboxamide
Smiles: Brc1cncc(c1)C(=O)Nc1cccc2c1cccn2

STK621412
Synonyms: 6-chloro-9-(1-hydroxy-2-methylpropan-2-yl)-3,4-dimethyl-9,10-dihydro-2H,8H-chromeno[8,7-e][1,3]oxazin-2-one
Smiles: OCC(N1COc2c(C1)c1oc(=O)c(c(c1cc2Cl)C)C)(C)C

STK621413
Synonyms: (2-{2-[(2,5-dimethoxyphenyl)amino]-2-oxoethoxy}phenyl)phosphonicacid
Smiles: COc1ccc(c(c1)NC(=O)COc1ccccc1P(=O)(O)O)OC

STK621415
Synonyms: 6,7-dimethoxy-N-[(2S)-3-methyl-1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-2-yl]-3,4-dihydroisoquinoline-2(1H)-carboxamide
Smiles: COc1cc2CN(CCc2cc1OC)C(=O)N[C@H](C(=O)NC1CCCc2c1cccc2)C(C)C

STK621417
Synonyms: 4,7,8-trimethyl-2H-chromen-2-one
Smiles: O=c1cc(C)c2c(o1)c(C)c(cc2)C

STK621418
Synonyms: 8-{[bis(2-methylpropyl)ammonio]methyl}-3-(2-methoxyphenyl)-2-methyl-4-oxo-4H-chromen-7-olate
Smiles: COc1ccccc1c1c(C)oc2c(c1=O)ccc(c2C[NH+](CC(C)C)CC(C)C)[O-]

STK621423
Synonyms: 3,6-bis(2,5-difluorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: Fc1ccc(c(c1)c1nn2c(s1)nnc2c1cc(F)ccc1F)F

STK621425
Synonyms: 4-(3,4-dimethoxyphenyl)-5-[2-(1H-indol-3-yl)ethyl]-3-methyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COc1cc(ccc1OC)C1N(CCc2c[nH]c3c2cccc3)C(=O)c2c1c(C)[nH]n2

STK621426
Synonyms: 5-(4,4-dimethyl-1,1-dioxido-3-oxo-1,2-thiazolidin-2-yl)-2-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
Smiles: COc1ccc(cc1S(=O)(=O)Nc1ccccc1OC)N1C(=O)C(CS1(=O)=O)(C)C

STK621428
Synonyms: 8-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-4-hydroxy-1,6,7-trimethyl-1H-imidazo[2,1-f]purin-2(8H)-one
Smiles: Clc1cccc(c1)N1CCN(CC1)CCCn1c2nc3c(n2c(c1C)C)c(O)nc(=O)n3C

STK621431
Synonyms: (5Z)-3-(3-chlorophenyl)-5-(quinoxalin-5-ylmethylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: Clc1cccc(c1)N1C(=S)S/C(=C\c2cccc3c2nccn3)/C1=O

STK621433
Synonyms: ethyl3-{[(7H-purin-6-ylsulfanyl)acetyl]amino}benzoate
Smiles: CCOC(=O)c1cccc(c1)NC(=O)CSc1ncnc2c1[nH]cn2

STK621436
Synonyms: 1'-acetyl-7-[2-oxo-2-(pyrrolidin-1-yl)ethoxy]spiro[chromene-2,4'-piperidin]-4(3H)-one
Smiles: O=C(N1CCCC1)COc1ccc2c(c1)OC1(CC2=O)CCN(CC1)C(=O)C

STK621437
Synonyms: 8-methoxy-5-methyl-3-[(4-nitrobenzyl)sulfanyl]-5H-[1,2,4]triazino[5,6-b]indole
Smiles: COc1ccc2c(c1)c1nnc(nc1n2C)SCc1ccc(cc1)[N+](=O)[O-]

STK621438
Synonyms: 4-(4-bromophenyl)-3-methyl-4,6,7,8-tetrahydro[1,2]oxazolo[5,4-b]quinolin-5-ol
Smiles: Brc1ccc(cc1)C1C2=C(O)CCCC2=Nc2c1c(C)no2

STK621439
Synonyms: 2-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-(1-phenylethyl)acetamide
Smiles: O=C(NC(c1ccccc1)C)CSc1nc(Cl)nc2c1[nH]cn2

STK621440
Synonyms: 3-(4-cyano-1-hydroxy-3-methylpyrido[1,2-a]benzimidazol-2-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
Smiles: COc1ccc2c(c1)c(CCNC(=O)CCc1c(C)c(C#N)c3n(c1O)c1ccccc1n3)c[nH]2

STK621441
Synonyms: 4-(azepanium-1-ylmethyl)-3-(ethoxycarbonyl)-2-phenyl-1-benzofuran-5-olate
Smiles: CCOC(=O)c1c(oc2c1c(C[NH+]1CCCCCC1)c(cc2)[O-])c1ccccc1

STK621442
Synonyms: 3-{4-[3-(2-methoxyphenoxy)propyl]piperazin-1-yl}-1,2-benzothiazole
Smiles: COc1ccccc1OCCCN1CCN(CC1)c1nsc2c1cccc2

STK621443
Synonyms: N-[2-(4-fluorophenyl)ethyl]-2-[(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)oxy]acetamide
Smiles: O=C(COc1ccc2c(c1)c(=O)n1c(n2)CCCCC1)NCCc1ccc(cc1)F

STK621445
Synonyms: N-(2-chloropyridin-3-yl)-2-[(4-oxo-3,4-dihydrospiro[chromene-2,1'-cyclohexan]-7-yl)oxy]acetamide
Smiles: O=C(Nc1cccnc1Cl)COc1ccc2c(c1)OC1(CC2=O)CCCCC1

STK621447
Synonyms: (4Z)-1-(4-acetylphenyl)-4-[hydroxy(phenyl)methylidene]-5-(4-methoxyphenyl)pyrrolidine-2,3-dione
Smiles: COc1ccc(cc1)C1/C(=C(\c2ccccc2)/O)/C(=O)C(=O)N1c1ccc(cc1)C(=O)C

STK621450
Synonyms: 6-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-fluorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: COc1cc(CCc2nn3c(s2)nnc3c2cccc(c2)F)ccc1OC

STK621452
Synonyms: 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-imino-1-(2-methoxyphenyl)-2,5-dihydro-1H-pyrrol-3-ol
Smiles: COc1ccccc1N1CC(=C(C1=N)c1scc(n1)c1ccc(cc1)Cl)O

STK621458
Synonyms: 3-(7-methoxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-{[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl}propanamide
Smiles: COc1ccc2c(c1)oc(=O)c(c2C)CCC(=O)NCC1(CCCCC1)N1CCN(CC1)C

STK621459
Synonyms: 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole
Smiles: COc1ccc2c(c1)CCc1c2n[nH]c1c1onc(n1)c1ccccc1Cl

STK621461
Synonyms: N-{2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-oxoethyl}-2-(4-hydroxyphthalazin-1-yl)acetamide
Smiles: O=C(Cc1nnc(c2c1cccc2)O)NCC(=O)N1CCC(CC1)(O)c1ccc(cc1)Cl

STK621462
Synonyms: (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-[2-(dimethylamino)ethyl]-5-[4-(propan-2-yl)phenyl]pyrrolidine-2,3-dione
Smiles: CN(CCN1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/O)/C1c1ccc(cc1)C(C)C)C

STK621463
Synonyms: (2E)-2-[(1-ethyl-1H-indol-3-yl)methylidene]-7-[(2-methylpiperidinium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: CCn1cc(c2c1cccc2)/C=C\1/Oc2c(C1=O)ccc(c2C[NH+]1CCCCC1C)[O-]

STK621465
Synonyms: 1-(4,6-dimethylpyrimidin-2-yl)-4-(3-hydroxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6-ol
Smiles: Oc1cccc(c1)C1CC(=Nc2c1c(nn2c1nc(C)cc(n1)C)c1ccccc1)O

STK621466
Synonyms: 3-{2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-oxoethyl}-4,8,8-trimethyl-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-2-one
Smiles: Clc1ccc(cc1)C1(O)CCN(CC1)C(=O)Cc1c(=O)oc2c(c1C)cc1c(c2)OC(CC1)(C)C

STK621467
Synonyms: {2-[(3-chlorobenzyl)oxy]phenyl}phosphonicacid
Smiles: Clc1cccc(c1)COc1ccccc1P(=O)(O)O

STK621468
Synonyms: N~2~-(2-chloro-7H-purin-6-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]glycinamide
Smiles: CCN1CCCC1CNC(=O)CNc1nc(Cl)nc2c1[nH]cn2

STK621469
Synonyms: 8-{[4-(4-methoxyphenyl)piperazin-1-yl]carbonyl}-3-methyl-2-phenyl-4H-chromen-4-one
Smiles: COc1ccc(cc1)N1CCN(CC1)C(=O)c1cccc2c1oc(c1ccccc1)c(c2=O)C

STK621470
Synonyms: 2-(2,5-dimethyl-1H-pyrrol-1-yl)-N-(pyridin-4-ylmethyl)-1,3-benzothiazole-6-carboxamide
Smiles: O=C(c1ccc2c(c1)sc(n2)n1c(C)ccc1C)NCc1ccncc1

STK621471
Synonyms: N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylpropanamide
Smiles: CN(C(c1ccco1)CNC(=O)C(C)C)C

STK621473
Synonyms: (4E)-4-[furan-2-yl(hydroxy)methylidene]-5-(2-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione
Smiles: COc1ccccc1C1/C(=C(/c2ccco2)\O)/C(=O)C(=O)N1c1noc(c1)C

STK621474
Synonyms: 5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-methyl-4-(3-nitrophenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COc1ccc2c(c1)c(CCN1C(=O)c3c(C1c1cccc(c1)[N+](=O)[O-])c([nH]n3)C)c[nH]2

STK621476
Synonyms: N-(3,4-dimethoxyphenyl)-4-(4,4-dimethyl-1,1-dioxido-3-oxo-1,2-thiazolidin-2-yl)benzenesulfonamide
Smiles: COc1cc(ccc1OC)NS(=O)(=O)c1ccc(cc1)N1C(=O)C(CS1(=O)=O)(C)C

STK621477
Synonyms: 2-[3-(4-fluorophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]-N-[2-(1H-imidazol-5-yl)ethyl]acetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)occ1c1ccc(cc1)F)NCCc1cnc[nH]1

STK621478
Synonyms: 3-hydroxy-N-{1-[(3-methoxybenzyl)amino]-1-oxo-3-phenylpropan-2-yl}quinoxaline-1(2H)-carboxamide
Smiles: COc1cccc(c1)CNC(=O)C(NC(=O)N1CC(=Nc2c1cccc2)O)Cc1ccccc1

STK621479
Synonyms: N-(1H-indol-5-yl)-2-[(4-oxo-3,4-dihydrospiro[chromene-2,1'-cyclohexan]-7-yl)oxy]acetamide
Smiles: O=C(Nc1ccc2c(c1)cc[nH]2)COc1ccc2c(c1)OC1(CC2=O)CCCCC1

STK621480
Synonyms: 2-hydroxy-5-(3-methoxyphenyl)-1-(2-phenylethyl)pyrido[2,3-d]pyrimidin-4(1H)-one
Smiles: COc1cccc(c1)c1ccnc2c1c(=O)nc(n2CCc1ccccc1)O

STK621481
Synonyms: 5-imino-4-(4-methyl-1,3-thiazol-2-yl)-1-(1-phenylethyl)-2,5-dihydro-1H-pyrrol-3-ol
Smiles: Cc1csc(n1)C1=C(O)CN(C1=N)C(c1ccccc1)C

STK621486
Synonyms: methyl[6-chloro-7-hydroxy-4-methyl-2-oxo-8-(pyrrolidin-1-ylmethyl)-2H-chromen-3-yl]acetate
Smiles: COC(=O)Cc1c(=O)oc2c(c1C)cc(c(c2CN1CCCC1)O)Cl

STK621487
Synonyms: 4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-imino-1-[3-(morpholin-4-yl)propyl]-2,5-dihydro-1H-pyrrol-3-ol
Smiles: COc1cc(ccc1OC)c1csc(n1)C1=C(O)CN(C1=N)CCCN1CCOCC1

STK621492
Synonyms: (2Z)-7-{[butyl(methyl)ammonio]methyl}-2-(2-ethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: CCCC[NH+](Cc1c([O-])ccc2c1O/C(=C\c1ccccc1OCC)/C2=O)C

STK621494
Synonyms: 4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-imino-1-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1H-pyrrol-3-ol
Smiles: COc1ccc(cc1OC)c1csc(n1)C1=C(O)CN(C1=N)c1cc(OC)c(c(c1)OC)OC

STK621498
Synonyms: 5-chloro-1'-methyl-4'-(4-nitrophenyl)-3'-(pyridin-3-ylcarbonyl)spiro[indole-3,2'-pyrrolidin]-2(1H)-one
Smiles: Clc1ccc2c(c1)C1(N(C)CC(C1C(=O)c1cccnc1)c1ccc(cc1)[N+](=O)[O-])C(=O)N2

STK621499
Synonyms: N-(1,3-benzodioxol-5-yl)-2-{[3-(3,4-dimethoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}acetamide
Smiles: COc1cc(ccc1OC)c1coc2c(c1=O)ccc(c2)OCC(=O)Nc1ccc2c(c1)OCO2

STK621501
Synonyms: (5E)-5-[(6-chloro[1,3]dioxolo[4,5-g]quinolin-7-yl)methylidene]-3-methyl-2-thioxo-1,3-thiazolidin-4-one
Smiles: S=C1S/C(=C/c2cc3cc4OCOc4cc3nc2Cl)/C(=O)N1C

STK621503
Synonyms: 5-{[(4-methylpyrimidin-2-yl)sulfanyl]methyl}-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Smiles: Cc1ccnc(n1)SCc1cc(O)n2c(n1)nc(n2)c1cccnc1

STK621505
Synonyms: tert-butyl[2-(4-oxoquinazolin-3(4H)-yl)ethyl]carbamate
Smiles: O=C(OC(C)(C)C)NCCn1cnc2c(c1=O)cccc2

STK621507
Synonyms: 1-[2-(morpholin-4-yl)ethyl]-1-(naphthalen-1-ylmethyl)-3-phenylurea
Smiles: O=C(N(Cc1cccc2c1cccc2)CCN1CCOCC1)Nc1ccccc1

STK621509
Synonyms: 3-bromo-8-tert-butyl-10-(2,2-dimethylpropanoyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: Brc1ccc2c(c1)C=CC1N2C(C2C1C(=O)N(C2=O)C(C)(C)C)C(=O)C(C)(C)C

STK621510
Synonyms: N-{4-[(5E)-4-oxo-5-(quinoxalin-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]phenyl}acetamide
Smiles: CC(=O)Nc1ccc(cc1)N1C(=S)S/C(=C/c2cnc3c(n2)cccc3)/C1=O

STK621512
Synonyms: N-(5-chloropyridin-2-yl)-N'-[1-(1H-indol-3-yl)propan-2-yl]ethanediamide
Smiles: CC(Cc1c[nH]c2c1cccc2)NC(=O)C(=O)Nc1ccc(cn1)Cl

STK621515
Synonyms: 2-(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-[3-(dimethylamino)propyl]acetamide
Smiles: CN(CCCNC(=O)Cc1c(=O)oc2c(c1C)cc(c(c2)O)Cl)C

STK621517
Synonyms: (4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-(4-hydroxy-3-methoxyphenyl)-4-[hydroxy(3-methoxyphenyl)methylidene]pyrrolidine-2,3-dione
Smiles: COc1cccc(c1)/C(=C\1/C(c2ccc(c(c2)OC)O)N(C(=O)C1=O)c1nc2c(s1)cc(cc2C)C)/O

STK621520
Synonyms: N-(4-chlorobenzyl)-1-(1H-indol-2-ylcarbonyl)piperidine-3-carboxamide
Smiles: Clc1ccc(cc1)CNC(=O)C1CCCN(C1)C(=O)c1cc2c([nH]1)cccc2

STK621523
Synonyms: 1-(1-benzylpiperidin-4-yl)-4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-imino-2,5-dihydro-1H-pyrrol-3-ol
Smiles: COc1cc(ccc1OC)c1csc(n1)C1=C(O)CN(C1=N)C1CCN(CC1)Cc1ccccc1

STK621524
Synonyms: 4-(2-{3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-hydroxy-2-imino-2,5-dihydro-1H-pyrrol-1-yl}ethyl)benzenesulfonamide
Smiles: Clc1ccc(cc1)c1csc(n1)C1=C(O)CN(C1=N)CCc1ccc(cc1)S(=O)(=O)N

STK621525
Synonyms: 6,8-dichloro-4-oxo-N-{4-[4-(propan-2-yl)phenyl]-1,2,5-oxadiazol-3-yl}-4H-chromene-2-carboxamide
Smiles: Clc1cc(Cl)c2c(c1)c(=O)cc(o2)C(=O)Nc1nonc1c1ccc(cc1)C(C)C

STK621526
Synonyms: N-hexyl-10-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine
Smiles: CCCCCCNc1nc2sc3c(c2c2n1ncn2)CC(CC3)C

STK621528
Synonyms: (5Z)-3-(2-methoxyphenyl)-5-(quinoxalin-5-ylmethylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: COc1ccccc1N1C(=S)S/C(=C\c2cccc3c2nccn3)/C1=O

STK621532
Synonyms: 5-(4-nitrophenyl)-4-(quinolin-5-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: [O-][N+](=O)c1ccc(cc1)c1n[nH]c(=S)n1c1cccc2c1cccn2

STK621536
Synonyms: N-(2-bromophenyl)-4-(4,4-dimethyl-1,1-dioxido-3-oxo-1,2-thiazolidin-2-yl)benzenesulfonamide
Smiles: O=C1N(c2ccc(cc2)S(=O)(=O)Nc2ccccc2Br)S(=O)(=O)CC1(C)C

STK621537
Synonyms: 2-(4-{[(4-acetylphenyl)carbonyl]carbamothioyl}piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylicacid
Smiles: CCn1cc(C(=O)O)c(=O)c2c1nc(nc2)N1CCN(CC1)C(=S)NC(=O)c1ccc(cc1)C(=O)C

STK621538
Synonyms: (4E)-4-[hydroxy(4-methylphenyl)methylidene]-1-[3-(morpholin-4-yl)propyl]-5-(pyridin-2-yl)pyrrolidine-2,3-dione
Smiles: Cc1ccc(cc1)/C(=C\1/C(c2ccccn2)N(C(=O)C1=O)CCCN1CCOCC1)/O

STK621539
Synonyms: 3-{3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl}-4-methyl-7-[(2-methylprop-2-en-1-yl)oxy]-2H-chromen-2-one
Smiles: COc1ccc(cc1)N1CCN(CC1)C(=O)CCc1c(=O)oc2c(c1C)ccc(c2)OCC(=C)C

STK621541
Synonyms: 4-({[3-(4-chlorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetyl)piperazin-2-one
Smiles: O=C1NCCN(C1)C(=O)COc1ccc2c(c1)oc(c(c2=O)c1ccc(cc1)Cl)C

STK621542
Synonyms: methyl{8-[4-(dimethylamino)phenyl]-1,7-dimethyl-2,4-dioxo-1,2,4,8-tetrahydro-3H-imidazo[2,1-f]purin-3-yl}acetate
Smiles: COC(=O)Cn1c(=O)n(C)c2c(c1=O)n1cc(n(c1n2)c1ccc(cc1)N(C)C)C

STK621544
Synonyms: 1-{[4-(acetylamino)phenyl]sulfonyl}-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
Smiles: CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCC(C1)C(=O)NCc1ccccn1

STK621545
Synonyms: 3-(2-methoxy-2-oxoethyl)-4-methyl-8-{[(3-methylbutyl)ammonio]methyl}-2-oxo-2H-chromen-7-olate
Smiles: COC(=O)Cc1c(=O)oc2c(c1C)ccc(c2C[NH2+]CCC(C)C)[O-]

STK621547
Synonyms: (5Z)-5-{[5-(3,4-dichlorophenyl)furan-2-yl]methylidene}-1-(3,5-dimethylphenyl)-2-hydroxypyrimidine-4,6(1H,5H)-dione
Smiles: Cc1cc(C)cc(c1)N1C(=NC(=O)/C(=C/c2ccc(o2)c2ccc(c(c2)Cl)Cl)/C1=O)O

STK621550
Synonyms: 4,5-di(pyridin-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: S=c1[nH]nc(n1c1cccnc1)c1cccnc1

STK621553
Synonyms: 2-(7-hydroxy-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
Smiles: O=C(Cc1nn2c(n1)nc(cc2O)C)Nc1scc(n1)C

STK621554
Synonyms: 3-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-indole
Smiles: CCc1nnc2n1nc(s2)c1c[nH]c2c1cccc2

STK621555
Synonyms: 3-(4-chlorophenyl)-1-methyl-1-[(4-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-5-yl)methyl]urea
Smiles: Clc1ccc(cc1)NC(=O)N(Cc1cc2cccc3c2n(c1=O)CC3)C

STK621556
Synonyms: (5E)-3-(furan-2-ylmethyl)-6-hydroxy-5-{3-methoxy-4-[3-(2-methylphenoxy)propoxy]benzylidene}pyrimidine-2,4(3H,5H)-dione
Smiles: COc1cc(ccc1OCCCOc1ccccc1C)/C=C/1\C(=NC(=O)N(C1=O)Cc1ccco1)O

STK621557
Synonyms: 2-(5-methoxy-4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-3-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
Smiles: COc1cc2OC(C)(C)CCc2c2c1c(C)c(CC(=O)NC1CC(C)(C)NC(C1)(C)C)c(=O)o2

STK621559
Synonyms: 4-(1H-indol-2-ylcarbonyl)-N-(3-{[3-(morpholin-4-yl)propyl]amino}-3-oxopropyl)piperazine-1-carboxamide
Smiles: O=C(CCNC(=O)N1CCN(CC1)C(=O)c1cc2c([nH]1)cccc2)NCCCN1CCOCC1

STK621561
Synonyms: 4-(4,4-dimethyl-1,1-dioxido-3-oxo-1,2-thiazolidin-2-yl)-N-(3-methoxyphenyl)benzenesulfonamide
Smiles: COc1cccc(c1)NS(=O)(=O)c1ccc(cc1)N1C(=O)C(CS1(=O)=O)(C)C

STK621564
Synonyms: (4E)-5-(3,4-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-4-{hydroxy[4-(prop-2-en-1-yloxy)phenyl]methylidene}pyrrolidine-2,3-dione
Smiles: C=CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(c(c1)OC)OC)CCN(C)C)/O

STK621566
Synonyms: 1-[(4-fluorophenyl)sulfonyl]-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]piperidine-3-carboxamide
Smiles: O=C(Nc1cccnc1)CNC(=O)C1CCCN(C1)S(=O)(=O)c1ccc(cc1)F

STK621567
Synonyms: 2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
Smiles: COc1cccc(c1)c1scc(n1)CC(=O)Nc1ncc(s1)C

STK621568
Synonyms: ethyl2-amino-5-methyl-1,3-thiazole-4-carboxylate
Smiles: Cc1sc(nc1C(=O)OCC)N

STK621569
Synonyms: 1-{[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl}piperidine-4-carboxamide
Smiles: COc1cc(ccc1OC)c1scc(n1)CC(=O)N1CCC(CC1)C(=O)N

STK621571
Synonyms: N-[(2Z)-1,3-benzothiazol-2(3H)-ylidene]-2,6-dichloropyridine-3-carboxamide
Smiles: Clc1ccc(c(n1)Cl)C(=O)/N=c/1\sc2c([nH]1)cccc2

STK621572
Synonyms: 2-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-(pyridin-2-ylmethyl)propanamide
Smiles: O=C(C(Sc1nc(Cl)nc2c1[nH]cn2)C)NCc1ccccn1

STK621573
Synonyms: 5-(furan-2-yl)-2,2-dimethyl-9-(2-methylprop-2-en-1-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(9H)-one
Smiles: CC(=C)Cn1cnc2c(c1=O)sc1c2c2CC(C)(C)OCc2c(n1)c1ccco1

STK621574
Synonyms: 1-(4-chlorophenyl)-2-[(naphthalen-1-ylmethyl)sulfanyl]-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazole5,5-dioxide
Smiles: Clc1ccc(cc1)N1C(=NC2C1CS(=O)(=O)C2)SCc1cccc2c1cccc2

STK621575
Synonyms: 2-oxo-8-({[3-(2-oxopyrrolidin-1-yl)propyl]ammonio}methyl)-4-phenyl-2H-chromen-7-olate
Smiles: O=C1CCCN1CCC[NH2+]Cc1c([O-])ccc2c1oc(=O)cc2c1ccccc1

STK621576
Synonyms: 1-(2-fluorophenyl)-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazole-2-thiol5,5-dioxide
Smiles: SC1=NC2C(N1c1ccccc1F)CS(=O)(=O)C2

STK621577
Synonyms: N-[3-(1H-imidazol-1-yl)propyl]-2-[(9-oxo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-7-yl)oxy]acetamide
Smiles: O=C(COc1ccc2c(c1)c(=O)n1c(n2)CCC1)NCCCn1cncc1

STK621579
Synonyms: 5-chloro-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-benzofuran-2-carboxamide
Smiles: Clc1ccc2c(c1)cc(o2)C(=O)NCCc1c[nH]c2c1cc(F)cc2

STK621580
Synonyms: (5Z)-4-hydroxy-5-[(2-methyl-1,5-diphenyl-1H-pyrrol-3-yl)methylidene]-1,3-thiazol-2(5H)-one
Smiles: O=C1S/C(=C\c2cc(n(c2C)c2ccccc2)c2ccccc2)/C(=N1)O

STK621581
Synonyms: 5-amino-N-(4-chlorobenzyl)-1-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxamide
Smiles: CSc1cccc(c1)n1nnc(c1N)C(=O)NCc1ccc(cc1)Cl

STK621582
Synonyms: 4-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]-N-[2-(morpholin-4-yl)ethyl]butanamide
Smiles: O=C(CCCN1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1)NCCN1CCOCC1

STK621585
Synonyms: 3-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-5-methoxy-4,8,8-trimethyl-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-2-one
Smiles: COc1cc2OC(C)(C)CCc2c2c1c(C)c(CC(=O)N1CCN(CC1)c1ccc(cc1)F)c(=O)o2

STK621587
Synonyms: 6-chloro-7-methyl-4-oxo-N-{4-[4-(propan-2-yl)phenyl]-1,2,5-oxadiazol-3-yl}-4H-chromene-2-carboxamide
Smiles: O=C(c1cc(=O)c2c(o1)cc(c(c2)Cl)C)Nc1nonc1c1ccc(cc1)C(C)C

STK621589
Synonyms: 2-(1,3-benzodioxol-5-yloxy)-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]ethanone
Smiles: O=C(N1CCN(CC1)c1cc(C)c2c(n1)cccc2)COc1ccc2c(c1)OCO2

STK621593
Synonyms: N-[3-(4-chlorophenyl)-4-oxo-4H-chromen-2-yl]-4-fluorobenzenesulfonamide
Smiles: Fc1ccc(cc1)S(=O)(=O)Nc1oc2ccccc2c(=O)c1c1ccc(cc1)Cl

STK621595
Synonyms: (4E)-1-(furan-2-ylmethyl)-4-(hydroxy{4-[(3-methylbenzyl)oxy]phenyl}methylidene)-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione
Smiles: Oc1ccc(cc1)C1N(Cc2ccco2)C(=O)C(=O)/C/1=C(\c1ccc(cc1)OCc1cccc(c1)C)/O

STK621597
Synonyms: N-[2-(3-fluorophenyl)ethyl]-2-(7H-purin-6-ylsulfanyl)propanamide
Smiles: O=C(C(Sc1ncnc2c1[nH]cn2)C)NCCc1cccc(c1)F

STK621598
Synonyms: 2-{4,7-dimethyl-5-[(2-methylprop-2-en-1-yl)oxy]-2-oxo-2H-chromen-3-yl}-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
Smiles: CC(=C)COc1cc(C)cc2c1c(C)c(c(=O)o2)CC(=O)NCCCN1CCCC1=O

STK621600
Synonyms: (4E)-4-{[5-(morpholin-4-yl)thiophen-2-yl]methylidene}-1-phenylpyrazolidine-3,5-dione
Smiles: O=C1NN(C(=O)/C/1=C/c1ccc(s1)N1CCOCC1)c1ccccc1

STK621601
Synonyms: 5-methoxy-2-[(3-methoxyphenyl)(piperidin-1-yl)methyl]naphthalen-1-ol
Smiles: COc1cccc(c1)C(c1ccc2c(c1O)cccc2OC)N1CCCCC1

STK621603
Synonyms: 5-fluoro-3-methyl-N-{4-[4-(propan-2-yl)phenyl]-1,2,5-oxadiazol-3-yl}-1-benzofuran-2-carboxamide
Smiles: Fc1ccc2c(c1)c(C)c(o2)C(=O)Nc1nonc1c1ccc(cc1)C(C)C

STK621604
Synonyms: N-(1-hydroxy-2-methylpropan-2-yl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
Smiles: OCC(NC(=O)c1cc(nc2c1cccc2)c1ccc(cc1)OC)(C)C

STK621606
Synonyms: (4E)-2-(3-chlorophenyl)-4-({[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino}methylidene)isoquinoline-1,3(2H,4H)-dione
Smiles: CN(C(c1ccco1)CN/C=C/1\c2ccccc2C(=O)N(C1=O)c1cccc(c1)Cl)C

STK621608
Synonyms: 6-chloro-4-methyl-8-{[(3-methylbutyl)ammonio]methyl}-2-oxo-2H-chromen-7-olate
Smiles: CC(CC[NH2+]Cc1c([O-])c(Cl)cc2c1oc(=O)cc2C)C

STK621610
Synonyms: (5Z)-3-cyclohexyl-6-hydroxy-5-[5-(4-hydroxy-3-methoxyphenyl)pyrazolidin-3-ylidene]pyrimidine-2,4(3H,5H)-dione
Smiles: COc1cc(ccc1O)C1NN/C(=C\2/C(=NC(=O)N(C2=O)C2CCCCC2)O)/C1

STK621612
Synonyms: 6,7-dimethoxy-N-{3-[(3-methylbutyl)amino]-3-oxopropyl}-3,4-dihydroisoquinoline-2(1H)-carboxamide
Smiles: COc1cc2CN(CCc2cc1OC)C(=O)NCCC(=O)NCCC(C)C

STK621613
Synonyms: (3a'S,6a'R)-5-chloro-3'-(1-hydroxyethyl)-5'-(3-methoxypropyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: COCCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2C(O)C)C(=O)Nc2c1cc(Cl)cc2

STK621614
Synonyms: 3-(prop-2-en-1-yl)-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one
Smiles: C=CCN1COc2c(C1)c1oc(=O)c3c(c1cc2)CCC3

STK621615
Synonyms: 2-chloro-N-[2-(4-methoxyphenyl)ethyl]-7H-purin-6-amine
Smiles: COc1ccc(cc1)CCNc1nc(Cl)nc2c1[nH]cn2

STK621619
Synonyms: 3-cyclopropyl-1-methyl-1-[(5-oxo-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinolin-6-yl)methyl]thiourea
Smiles: S=C(N(Cc1cc2cccc3c2n(c1=O)CCC3)C)NC1CC1

STK621622
Synonyms: 1-[4-(pyridin-2-yl)piperazin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one
Smiles: O=C(N1CCN(CC1)c1ccccn1)CCNc1ncccn1

STK621623
Synonyms: 3-[(2-chloro-7H-purin-6-yl)amino]-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-1-one
Smiles: O=C(N1CCN(CC1)c1ccccn1)CCNc1nc(Cl)nc2c1[nH]cn2

STK621624
Synonyms: N-[4-(benzyloxy)phenyl]-2-[(9-oxo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-7-yl)oxy]acetamide
Smiles: O=C(Nc1ccc(cc1)OCc1ccccc1)COc1ccc2c(c1)c(=O)n1c(n2)CCC1

STK621625
Synonyms: (5E)-5-{[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene}-3-(4-chlorophenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: Clc1ccc(cc1)N1C(=O)N=C(/C(=C\c2ccc(o2)Sc2nc3c([nH]2)cccc3)/C1=O)O

STK621626
Synonyms: (4E)-4-[furan-2-yl(hydroxy)methylidene]-1-(2-methoxyethyl)-5-(3-methoxyphenyl)pyrrolidine-2,3-dione
Smiles: COCCN1C(=O)C(=O)/C(=C(\c2ccco2)/O)/C1c1cccc(c1)OC

STK621628
Synonyms: N-[(1E)-3-{[2-(1H-indol-3-yl)ethyl]amino}-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]-3,4-dimethoxybenzamide
Smiles: COc1ccc(cc1)/C=C(\C(=O)NCCc1c[nH]c2c1cccc2)/NC(=O)c1ccc(c(c1)OC)OC

STK621630
Synonyms: 2-(4-cyclohexylpiperazin-1-yl)-7H-naphtho[1,2,3-de]quinolin-7-one
Smiles: O=C1c2ccccc2c2c3c1cccc3nc(c2)N1CCN(CC1)C1CCCCC1

STK621631
Synonyms: 1-(3-hydroxypropyl)-5-imino-4-(4-methyl-1,3-thiazol-2-yl)-2,5-dihydro-1H-pyrrol-3-ol
Smiles: OCCCN1CC(=C(C1=N)c1scc(n1)C)O

STK621632
Synonyms: methyl2-{[amino(oxo)acetyl]amino}-4,5-dimethylthiophene-3-carboxylate
Smiles: COC(=O)c1c(NC(=O)C(=O)N)sc(c1C)C

STK621634
Synonyms: N-(4-methoxybenzyl)-N'-(2-methoxydibenzo[b,d]furan-3-yl)ethanediamide
Smiles: COc1ccc(cc1)CNC(=O)C(=O)Nc1cc2oc3c(c2cc1OC)cccc3

STK621640
Synonyms: (5Z)-5-{[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-1-(4-methoxyphenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: COc1ccc(cc1)N1C(=NC(=O)/C(=C/c2cc(n(c2C)c2cccc(c2)[N+](=O)[O-])C)/C1=O)S

STK621641
Synonyms: methylN-(2,3-dihydro-1H-indol-1-ylcarbonyl)-beta-alaninate
Smiles: COC(=O)CCNC(=O)N1CCc2c1cccc2

STK621644
Synonyms: 5-amino-1-(3-chloro-4-methoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-1,2,3-triazole-4-carboxamide
Smiles: COc1ccc(cc1Cl)n1nnc(c1N)C(=O)NCCc1ccc(c(c1)OC)OC

STK621645
Synonyms: 6-chloro-N-(3-{1-methyl-5-[(3-methylbutanoyl)amino]-1H-benzimidazol-2-yl}propyl)pyridine-3-carboxamide
Smiles: CC(CC(=O)Nc1ccc2c(c1)nc(n2C)CCCNC(=O)c1ccc(nc1)Cl)C

STK621646
Synonyms: N-[2-(1H-indol-5-ylamino)-2-oxoethyl]-1-(phenylsulfonyl)piperidine-3-carboxamide
Smiles: O=C(Nc1ccc2c(c1)cc[nH]2)CNC(=O)C1CCCN(C1)S(=O)(=O)c1ccccc1

STK621649
Synonyms: N-(2-chlorophenyl)-2-methoxy-5-(4-methyl-1,1-dioxido-3-oxo-1,2-thiazolidin-2-yl)benzenesulfonamide
Smiles: COc1ccc(cc1S(=O)(=O)Nc1ccccc1Cl)N1C(=O)C(CS1(=O)=O)C

STK621651
Synonyms: 2-chloro-3-[4-({6-chloro-4-methyl-7-[(2-methylprop-2-en-1-yl)oxy]-2-oxo-2H-chromen-3-yl}acetyl)piperazin-1-yl]naphthalene-1,4-dione
Smiles: CC(=C)COc1cc2oc(=O)c(c(c2cc1Cl)C)CC(=O)N1CCN(CC1)C1=C(Cl)C(=O)c2c(C1=O)cccc2

STK621653
Synonyms: N-(2-chlorobenzyl)-1-(1H-indol-5-ylcarbonyl)piperidine-3-carboxamide
Smiles: O=C(C1CCCN(C1)C(=O)c1ccc2c(c1)cc[nH]2)NCc1ccccc1Cl

STK621662
Synonyms: 3-[(4-benzylpiperazin-1-yl)carbonyl]-1-cyclopropyl-6,7-difluoro-8-methoxyquinolin-4(1H)-one
Smiles: COc1c(F)c(F)cc2c1n(cc(c2=O)C(=O)N1CCN(CC1)Cc1ccccc1)C1CC1

STK621666
Synonyms: N-[4-(benzyloxy)phenyl]-1-(pyrimidin-2-yl)piperidine-3-carboxamide
Smiles: O=C(C1CCCN(C1)c1ncccn1)Nc1ccc(cc1)OCc1ccccc1

STK621667
Synonyms: 2,2-dimethyl-N-(pyridin-3-ylmethyl)-N-[2-(pyrrolidin-1-ylsulfonyl)ethyl]propanamide
Smiles: O=C(C(C)(C)C)N(Cc1cccnc1)CCS(=O)(=O)N1CCCC1

STK621668
Synonyms: N-{1-[(2,4-dichlorobenzyl)amino]-4-(methylsulfanyl)-1-oxobutan-2-yl}-3-hydroxyquinoxaline-1(2H)-carboxamide
Smiles: CSCCC(C(=O)NCc1ccc(cc1Cl)Cl)NC(=O)N1CC(=Nc2c1cccc2)O

STK621671
Synonyms: 3-cyclohexyl-N-[1-(2,4-dimethylphenyl)-2-hydroxy-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]propanamide
Smiles: O=C(NC1(N=C(N(C1=O)c1ccc(cc1C)C)O)C(F)(F)F)CCC1CCCCC1

STK621672
Synonyms: 3-(3,4-dimethoxyphenyl)-2-oxo-8-(piperidinium-1-ylmethyl)-2H-chromen-7-olate
Smiles: COc1cc(ccc1OC)c1cc2ccc(c(c2oc1=O)C[NH+]1CCCCC1)[O-]

STK621675
Synonyms: N-[2-(dimethylamino)ethyl]-N'-(1H-indol-5-yl)ethanediamide
Smiles: CN(CCNC(=O)C(=O)Nc1ccc2c(c1)cc[nH]2)C

STK621676
Synonyms: 8-ethyl-N-(furan-2-ylmethyl)-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine
Smiles: CCc1sc2c(c1C)c1ncnn1c(n2)NCc1ccco1

STK621677
Synonyms: 2-(4-methoxy-3-{[4-(pyridin-2-yl)piperazin-1-yl]sulfonyl}phenyl)-4,4-dimethyl-1,2-thiazolidin-3-one1,1-dioxide
Smiles: COc1ccc(cc1S(=O)(=O)N1CCN(CC1)c1ccccn1)N1C(=O)C(CS1(=O)=O)(C)C

STK621678
Synonyms: 1',3'-dimethyl-8-nitro-4a-(pyridin-3-yl)-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione
Smiles: O=C1N(C)C(=O)C2(C(=O)N1C)Cc1cc(ccc1N1C2(CCCC1)c1cccnc1)[N+](=O)[O-]

STK621679
Synonyms: (3aS,6R)-N-(3,4-dimethoxyphenyl)-1-oxo-2-phenyl-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Smiles: COc1cc(ccc1OC)NC(=O)C1[C@@H]2C=C[C@@]3(C1C(=O)N(C3)c1ccccc1)O2

STK621680
Synonyms: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-[(4-methoxyphenyl)sulfonyl]piperidine-4-carboxamide
Smiles: COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)NCCc1c[nH]c2c1cc(OC)cc2

STK621681
Synonyms: 3-(3-hydroxypropyl)-6,6-dimethyl-1-[2-oxo-2-(piperidin-1-yl)ethyl]-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
Smiles: OCCCn1c(=O)n(CC(=O)N2CCCCC2)c2c(c1=O)c1CC(C)(C)OCc1s2

STK621682
Synonyms: 3-methyl-2-[4-(2-methylprop-2-en-1-yl)piperazin-1-yl]-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: CC(=C)CN1CCN(CC1)c1nc2sc3c(c2c(=O)n1C)CCC3

STK621684
Synonyms: 10,10-dimethyl-2-[4-(3-methylbutoxy)phenyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ol
Smiles: CC(CCOc1ccc(cc1)c1nn2c(n1)c1c(nc2O)sc2c1CC(C)(C)OC2)C

STK621685
Synonyms: (2Z)-2-(3-fluorobenzylidene)-6-(2-oxo-2-phenylethoxy)-1-benzofuran-3(2H)-one
Smiles: Fc1cccc(c1)/C=C/1\Oc2c(C1=O)ccc(c2)OCC(=O)c1ccccc1

STK621687
Synonyms: 3-(2-methoxyphenyl)-2-methyl-9-(thiophen-2-ylmethyl)-9,10-dihydro-4H,8H-chromeno[8,7-e][1,3]oxazin-4-one
Smiles: COc1ccccc1c1c(C)oc2c(c1=O)ccc1c2CN(CO1)Cc1cccs1

STK621690
Synonyms: N-[4-(furan-2-yl)butan-2-yl]-2-[(9-oxo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-7-yl)oxy]acetamide
Smiles: CC(NC(=O)COc1ccc2c(c1)c(=O)n1c(n2)CCC1)CCc1ccco1

STK621691
Synonyms: N-[4-(morpholin-4-ylmethyl)phenyl]-2-(4,8,8-trimethyl-2-oxo-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-3-yl)acetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)OC(CC1)(C)C)Nc1ccc(cc1)CN1CCOCC1

STK621692
Synonyms: trans-N-{2-[(2-methylpropyl)amino]-2-oxoethyl}-4-{[(phenylsulfonyl)amino]methyl}cyclohexanecarboxamide
Smiles: CC(CNC(=O)CNC(=O)[C@@H]1CC[C@H](CC1)CNS(=O)(=O)c1ccccc1)C

STK621693
Synonyms: 4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]tetrahydrothiophene-3-ol1,1-dioxide
Smiles: OC1CS(=O)(=O)CC1N1CCC(CC1)c1nc2c(s1)cccc2

STK621697
Synonyms: ethyl1-(2-chlorobenzyl)-4-(4-chlorophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Smiles: CCOC(=O)C1=C(C)N(C(=S)NC1c1ccc(cc1)Cl)Cc1ccccc1Cl

STK621698
Synonyms: methyl1-{[4-(trifluoromethyl)phenyl]carbamothioyl}piperidine-4-carboxylate
Smiles: COC(=O)C1CCN(CC1)C(=S)Nc1ccc(cc1)C(F)(F)F

STK621699
Synonyms: 2-methyl-4-(4-methyl-1,1-dioxido-3-oxo-1,2-thiazolidin-2-yl)-N-(3-phenylpropyl)benzenesulfonamide
Smiles: O=C1C(C)CS(=O)(=O)N1c1ccc(c(c1)C)S(=O)(=O)NCCCc1ccccc1

STK621700
Synonyms: 1-(1H-indol-2-ylcarbonyl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
Smiles: COc1cc(NC(=O)C2CCCN(C2)C(=O)c2cc3c([nH]2)cccc3)cc(c1OC)OC

STK621701
Synonyms: (5E)-3-(4-hydroxyphenyl)-5-(quinolin-6-ylmethylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: Oc1ccc(cc1)N1C(=S)S/C(=C/c2ccc3c(c2)cccn3)/C1=O

STK621702
Synonyms: N-(1,3-benzodioxol-5-ylmethyl)-2-{[3-(2-methoxyphenoxy)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetamide
Smiles: COc1ccccc1Oc1c(C)oc2c(c1=O)ccc(c2)OCC(=O)NCc1ccc2c(c1)OCO2

STK621703
Synonyms: (2Z)-2-(2-methylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl4-bromobenzenesulfonate
Smiles: Brc1ccc(cc1)S(=O)(=O)Oc1ccc2c(c1)O/C(=C\c1ccccc1C)/C2=O

STK621704
Synonyms: 3-butoxy-N-[(2Z)-5-[(2-chlorobenzyl)sulfonyl]-1,3,4-thiadiazol-2(3H)-ylidene]benzamide
Smiles: CCCCOc1cccc(c1)C(=O)/N=c\1/[nH]nc(s1)S(=O)(=O)Cc1ccccc1Cl

STK621705
Synonyms: N-[3-(morpholin-4-yl)propyl]-3-(4-oxoquinazolin-3(4H)-yl)propanamide
Smiles: O=C(CCn1cnc2c(c1=O)cccc2)NCCCN1CCOCC1

STK621707
Synonyms: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-(4-methyl-1,1-dioxido-3-oxo-1,2-thiazolidin-2-yl)benzenesulfonamide
Smiles: O=C1C(C)CS(=O)(=O)N1c1ccc(c(c1)C)S(=O)(=O)Nc1ccc2c(c1)OCCO2

STK621708
Synonyms: 1-{3-[4-(4-chlorophenyl)-2-hydroxyquinolin-3-yl]-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl}ethanone
Smiles: Clc1ccc(cc1)c1c(C2=NN(C(C2)c2ccco2)C(=O)C)c(O)nc2c1cccc2

STK621710
Synonyms: N-(1,3-benzodioxol-5-yl)-1-(pyrimidin-2-yl)piperidine-3-carboxamide
Smiles: O=C(C1CCCN(C1)c1ncccn1)Nc1ccc2c(c1)OCO2

STK621714
Synonyms: [2-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3-benzothiazol-6-yl](1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)methanone
Smiles: O=C(N1CC2(CC1CC(C2)(C)C)C)c1ccc2c(c1)sc(n2)n1c(C)ccc1C

STK621720
Synonyms: N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamide
Smiles: O=C(CCc1c(=O)oc2c(c1C)cc1c(c2C)occ1C)NCCc1onc(n1)c1ccccc1

STK621723
Synonyms: 3-{[4-chloro-5-{(E)-[2-(furan-2-ylcarbonyl)hydrazinylidene]methyl}-2-oxo-1,3-thiazol-3(2H)-yl]methyl}benzoicacid
Smiles: O=C(c1ccco1)N/N=C/c1sc(=O)n(c1Cl)Cc1cccc(c1)C(=O)O

STK621724
Synonyms: 2-(6-ethyl-5-methyl-4-oxothieno[2,3-d][1,2,3]triazin-3(4H)-yl)acetamide
Smiles: CCc1sc2c(c1C)c(=O)n(nn2)CC(=O)N

STK621727
Synonyms: 8-{2-[(4-fluorophenyl)amino]ethyl}-4-hydroxy-1,7-dimethyl-1H-imidazo[2,1-f]purin-2(8H)-one
Smiles: Fc1ccc(cc1)NCCn1c(C)cn2c1nc1c2c(O)nc(=O)n1C

STK621730
Synonyms: N-(1-methyl-2-{[(4-methylpyrimidin-2-yl)sulfanyl]methyl}-1H-benzimidazol-5-yl)benzamide
Smiles: Cc1ccnc(n1)SCc1nc2c(n1C)ccc(c2)NC(=O)c1ccccc1

STK621731
Synonyms: (5S)-3-benzyl-5-[3-oxo-3-(pyrrolidin-1-yl)propyl]imidazolidine-2,4-dione
Smiles: O=C1N[C@H](C(=O)N1Cc1ccccc1)CCC(=O)N1CCCC1

STK621732
Synonyms: (5E)-5-[(7-hydroxy-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-8-yl)methylidene]-3-methyl-2-thioxo-1,3-thiazolidin-4-one
Smiles: S=C1S/C(=C/c2cc3cc4OCCOc4cc3nc2O)/C(=O)N1C

STK621734
Synonyms: [7-(2-chlorophenyl)-5-methyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl](4-methylpiperazin-1-yl)methanone
Smiles: CN1CCN(CC1)C(=O)C1=C(C)N=c2n(C1c1ccccc1Cl)nc[nH]2

STK621735
Synonyms: N-(4-methoxybenzyl)-3-(4-oxoquinazolin-3(4H)-yl)propanamide
Smiles: COc1ccc(cc1)CNC(=O)CCn1cnc2c(c1=O)cccc2

STK621739
Synonyms: (4E)-4-[(4-chlorophenyl)(hydroxy)methylidene]-5-(4-hydroxyphenyl)-1-(pyrimidin-2-yl)pyrrolidine-2,3-dione
Smiles: Oc1ccc(cc1)C1/C(=C(/c2ccc(cc2)Cl)\O)/C(=O)C(=O)N1c1ncccn1

STK621740
Synonyms: N-[2-(1H-indol-3-yl)ethyl]-N'-{2-[(2-methoxyethyl)carbamoyl]phenyl}ethanediamide
Smiles: COCCNC(=O)c1ccccc1NC(=O)C(=O)NCCc1c[nH]c2c1cccc2

STK621741
Synonyms: N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(5-nitropyridin-2-yl)piperidine-3-carboxamide
Smiles: CCN1CCCC1CNC(=O)C1CCCN(C1)c1ccc(cn1)[N+](=O)[O-]

STK621742
Synonyms: 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-5-methyl-4,5,6,7-tetrahydro-2H-indazole
Smiles: CC1CCc2c(C1)c([nH]n2)c1onc(n1)c1ccccc1Cl

STK621743
Synonyms: N-{(4E)-8-ethoxy-6-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-dimethyl-4H-cyclohepta[c]furan-4-ylidene}-4-methylaniline
Smiles: CCOc1cc(/C=C/c2ccccc2OC)c/c(=N\c2ccc(cc2)C)/c2c1c(C)oc2C

STK621744
Synonyms: 10-[(4-chlorophenyl)carbonyl]-8-(2-methoxyethyl)-5-methyl-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: COCCN1C(=O)C2C(C1=O)C(N1C2C=C(C)c2c1cccc2)C(=O)c1ccc(cc1)Cl

STK621750
Synonyms: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-6,6-dimethyl-N-(3-methylbutyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
Smiles: CC(CCNc1nc(nc2c1c1CC(C)(C)OCc1s2)n1nc(cc1C)C)C

STK621752
Synonyms: N-(2-hydroxy-2-phenylethyl)-2-[(4-oxo-3-phenyl-4H-chromen-7-yl)oxy]acetamide
Smiles: O=C(NCC(c1ccccc1)O)COc1ccc2c(c1)occ(c2=O)c1ccccc1

STK621755
Synonyms: (5Z)-5-{[(2,4-dimethylphenyl)amino]methylidene}-4-methyl-1-[2-(morpholin-4-yl)ethyl]-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Smiles: N#CC1=C(C)/C(=C/Nc2ccc(cc2C)C)/C(=O)N(C1=O)CCN1CCOCC1

STK621756
Synonyms: methyl{[6-(diphenylmethyl)-5-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]oxy}acetate
Smiles: COC(=O)COc1nc2SCCn2c(=O)c1C(c1ccccc1)c1ccccc1

STK621758
Synonyms: 3-(4-methoxyphenyl)-9-[3-(morpholin-4-yl)propyl]-9,10-dihydro-2H,8H-chromeno[8,7-e][1,3]oxazin-2-one
Smiles: COc1ccc(cc1)c1cc2ccc3c(c2oc1=O)CN(CO3)CCCN1CCOCC1

STK621761
Synonyms: 2-[(1'-acetyl-4-oxo-3,4-dihydrospiro[chromene-2,4'-piperidin]-7-yl)oxy]-N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)acetamide
Smiles: O=C(NC1C=CS(=O)(=O)C1)COc1ccc2c(c1)OC1(CC2=O)CCN(CC1)C(=O)C

STK621762
Synonyms: methyl2-{(3E)-2-(4-chlorophenyl)-3-[hydroxy(4-methoxyphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Smiles: COc1ccc(cc1)/C(=C\1/C(c2ccc(cc2)Cl)N(C(=O)C1=O)c1sc(c(n1)C)C(=O)OC)/O

STK621763
Synonyms: N-methyl-4-(naphthalen-1-ylmethyl)piperazine-1-carbothioamide
Smiles: CNC(=S)N1CCN(CC1)Cc1cccc2c1cccc2

STK621764
Synonyms: (2Z)-2-(2,4-dichlorobenzylidene)-7-[(2-methylpiperidinium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: Clc1ccc(c(c1)Cl)/C=C/1\Oc2c(C1=O)ccc(c2C[NH+]1CCCCC1C)[O-]

STK621765
Synonyms: N-(butan-2-yl)-N'-(1H-indol-5-yl)ethanediamide
Smiles: CCC(NC(=O)C(=O)Nc1ccc2c(c1)cc[nH]2)C

STK621766
Synonyms: 2-hydroxy-6-methyl-5-[(1E)-3-(octyloxy)-3-oxoprop-1-en-1-yl]-3-[2,3,5-tris-O-(phenylcarbonyl)pentofuranosyl]pyrimidin-4(3H)-one
Smiles: CCCCCCCCOC(=O)/C=C/c1c(C)nc(n(c1=O)C1OC(C(C1OC(=O)c1ccccc1)OC(=O)c1ccccc1)COC(=O)c1ccccc1)O

STK621767
Synonyms: (4E)-1-[3-(dimethylamino)propyl]-4-(hydroxy{4-[(3-methylbenzyl)oxy]phenyl}methylidene)-5-(4-methoxyphenyl)pyrrolidine-2,3-dione
Smiles: COc1ccc(cc1)C1N(CCCN(C)C)C(=O)C(=O)/C/1=C(\c1ccc(cc1)OCc1cccc(c1)C)/O

STK621770
Synonyms: 2-[(4,7-dimethylquinazolin-2-yl)amino]-6-methyl-5-(3-methylbenzyl)pyrimidin-4-ol
Smiles: Cc1cccc(c1)Cc1c(C)nc(nc1O)Nc1nc(C)c2c(n1)cc(cc2)C

STK621773
Synonyms: 2-phenyl-1-[4-(propan-2-yloxy)phenyl]ethanone
Smiles: CC(Oc1ccc(cc1)C(=O)Cc1ccccc1)C

STK621774
Synonyms: 2-[2-(9-fluoro[1,2,4]triazolo[4,3-c]quinazolin-3-yl)ethyl]phthalazin-1(2H)-one
Smiles: Fc1ccc2c(c1)c1nnc(n1cn2)CCn1ncc2c(c1=O)cccc2

STK621775
Synonyms: N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-4-(morpholin-4-yl)-3-nitrobenzamide
Smiles: Cc1cc(C)c2c(c1)nc(o2)c1cc(ccc1O)NC(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCOCC1

STK621779
Synonyms: 2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-6-(3-methoxyphenyl)pyrimidin-4-ol
Smiles: CCc1ccc2c(c1)c(C)nc(n2)Nc1nc(O)cc(n1)c1cccc(c1)OC

STK621781
Synonyms: (4E)-5-(4-fluorophenyl)-4-(hydroxy{4-[(3-methylbenzyl)oxy]phenyl}methylidene)-1-[3-(morpholin-4-yl)propyl]pyrrolidine-2,3-dione
Smiles: Fc1ccc(cc1)C1N(CCCN2CCOCC2)C(=O)C(=O)/C/1=C(\c1ccc(cc1)OCc1cccc(c1)C)/O

STK621783
Synonyms: (4E)-4-[hydroxy(5-methylfuran-2-yl)methylidene]-1-(5-methyl-1,2-oxazol-3-yl)-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione
Smiles: COc1c(OC)cc(cc1OC)C1/C(=C(/c2ccc(o2)C)\O)/C(=O)C(=O)N1c1noc(c1)C

STK621784
Synonyms: (2Z)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylidene]-7-[(2-methylpiperidinium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: Clc1cc(/C=C/2\Oc3c(C2=O)ccc(c3C[NH+]2CCCCC2C)[O-])c2c(c1)COCO2

STK621785
Synonyms: N-{3-[(3-fluorophenyl)amino]-3-oxopropyl}-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carboxamide
Smiles: COc1cc2CN(CCc2cc1OC)C(=O)NCCC(=O)Nc1cccc(c1)F

STK621786
Synonyms: 2-[2-(pyridin-3-yl)-1,3-thiazol-4-yl]ethanamine
Smiles: NCCc1csc(n1)c1cccnc1

STK621788
Synonyms: 1-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(2-methoxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
Smiles: COc1ccccc1NC(=O)c1nn(c2c1CCCC2)C1CCS(=O)(=O)C1

STK621790
Synonyms: (2E)-7-{[benzyl(methyl)ammonio]methyl}-2-[(1-ethyl-1H-indol-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: CCn1cc(c2c1cccc2)/C=C\1/Oc2c(C1=O)ccc(c2C[NH+](Cc1ccccc1)C)[O-]

STK621792
Synonyms: 5,6-dimethyl-3-[2-(morpholin-4-yl)ethyl]-7-(pyridin-4-ylmethyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-imine
Smiles: Cc1c(C)n(c2c1c(=N)n(CCN1CCOCC1)cn2)Cc1ccncc1

STK621793
Synonyms: 2-{[10,10-dimethyl-5-(propan-2-ylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethanone
Smiles: CC(Sc1nc2sc3c(c2c2n1c(SCC(=O)N1CCCC1)nn2)CC(OC3)(C)C)C

STK621794
Synonyms: 6-chloro-3-(2-{[2-(2-fluorophenyl)ethyl]amino}-2-oxoethyl)-4-methyl-2-oxo-2H-chromen-7-ylacetate
Smiles: O=C(Cc1c(=O)oc2c(c1C)cc(c(c2)OC(=O)C)Cl)NCCc1ccccc1F

STK621796
Synonyms: 3-(3,4-dimethoxyphenyl)-N-(quinolin-5-yl)propanamide
Smiles: COc1cc(CCC(=O)Nc2cccc3c2cccn3)ccc1OC

STK621797
Synonyms: 7-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]-3-phenyl-4H-chromen-4-one
Smiles: CC1CCCCN1C(=O)COc1ccc2c(c1)occ(c2=O)c1ccccc1

STK621798
Synonyms: 6-tert-butyl-2-[(4-chlorobenzyl)sulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile
Smiles: N#Cc1c(SCc2ccc(cc2)Cl)nc(cc1C(F)(F)F)C(C)(C)C

STK621799
Synonyms: methyl4-(5,7-dihydroxy-3-methyl-1-phenyl-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidin-4-yl)benzoate
Smiles: COC(=O)c1ccc(cc1)c1c2c(O)nc(nc2nc2c1c(C)nn2c1ccccc1)O

STK621801
Synonyms: 4-methoxy-N-[(2Z)-4-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-1,3-thiazol-2(3H)-ylidene]benzamide
Smiles: COc1ccc(cc1)C(=O)/N=c/1\scc([nH]1)c1c(C)n(c2c1cc(OC)cc2)C

STK621802
Synonyms: ethyl4-[(5-ethyl-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinolin-7-yl)carbonyl]piperazine-1-carboxylate
Smiles: CCn1cc(C(=O)N2CCN(CC2)C(=O)OCC)c(=O)c2c1cc1OCOc1c2

STK621803
Synonyms: 1-hydroxy-2-{3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl}-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Smiles: N#Cc1c(C)c(CCC(=O)N2CCN(CC2)c2ccc(cc2)OC)c(n2c1nc1c2cccc1)O

STK621807
Synonyms: 2-(3-{(E)-[1-(4-ethoxyphenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Smiles: CCOc1ccc(cc1)N1C(=O)N=C(/C(=C\c2cc(n(c2C)c2sc3c(c2C#N)CCCC3)C)/C1=O)O

STK621809
Synonyms: 7-(4-chlorophenyl)-9-methyl-3-[2-(piperidin-1-yl)ethyl]pyrimido[5',4':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-one
Smiles: Clc1ccc(cc1)c1nc(C)c2c(n1)sc1c2nnn(c1=O)CCN1CCCCC1

STK621813
Synonyms: 1-(4-benzylpiperidin-1-yl)-2-(4-hydroxyphthalazin-1-yl)ethanone
Smiles: O=C(N1CCC(CC1)Cc1ccccc1)Cc1nnc(c2c1cccc2)O

STK621814
Synonyms: 6-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)-N-methyl-N-[2-(pyridin-2-yl)ethyl]hexanamide
Smiles: CN(C(=O)CCCCCn1c(O)nc2c(c1=O)cccc2)CCc1ccccn1

STK621816
Synonyms: (5E)-5-{[1-(3,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-3-(4-fluorophenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: Fc1ccc(cc1)N1C(=O)N=C(/C(=C\c2cc(n(c2C)c2cc(C)cc(c2)C)C)/C1=O)O

STK621817
Synonyms: 5-fluoro-1'-methyl-4'-(3-nitrophenyl)-3'-(thiophen-2-ylcarbonyl)spiro[indole-3,2'-pyrrolidin]-2(1H)-one
Smiles: Fc1ccc2c(c1)C1(N(C)CC(C1C(=O)c1cccs1)c1cccc(c1)[N+](=O)[O-])C(=O)N2

STK621820
Synonyms: (5E)-3-(1,3-benzodioxol-5-yl)-5-[(6-methoxy-1H-indol-3-yl)methylidene]-2-thioxo-1,3-thiazolidin-4-one
Smiles: COc1ccc2c(c1)[nH]cc2/C=C\1/SC(=S)N(C1=O)c1ccc2c(c1)OCO2

STK621821
Synonyms: (2Z)-7-{[bis(2-methylpropyl)ammonio]methyl}-2-(2,6-dichlorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: CC(C[NH+](Cc1c([O-])ccc2c1O/C(=C\c1c(Cl)cccc1Cl)/C2=O)CC(C)C)C

STK621823
Synonyms: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-methylpropyl)-2-phenyl-1,3-oxazol-5-amine
Smiles: CC(CNc1oc(nc1S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1)C

STK621825
Synonyms: 2-[4-methoxy-3-(morpholin-4-ylsulfonyl)phenyl]-4,4-dimethyl-1,2-thiazolidin-3-one1,1-dioxide
Smiles: COc1ccc(cc1S(=O)(=O)N1CCOCC1)N1C(=O)C(CS1(=O)=O)(C)C

STK621826
Synonyms: 4-hydroxy-1,7-dimethyl-8-[3-(piperidin-1-yl)propyl]-1H-imidazo[2,1-f]purin-2(8H)-one
Smiles: Oc1nc(=O)n(c2c1n1cc(n(c1n2)CCCN1CCCCC1)C)C

STK621827
Synonyms: N~3~-(diphenylacetyl)-N-(pyridin-4-ylmethyl)-beta-alaninamide
Smiles: O=C(NCc1ccncc1)CCNC(=O)C(c1ccccc1)c1ccccc1

STK621828
Synonyms: 8-{2-[(4-chlorophenyl)amino]ethyl}-4-hydroxy-1,7-dimethyl-1H-imidazo[2,1-f]purin-2(8H)-one
Smiles: Clc1ccc(cc1)NCCn1c(C)cn2c1nc1c2c(O)nc(=O)n1C

STK621830
Synonyms: ethyl2-[(3E)-3-[hydroxy(4-methoxyphenyl)methylidene]-4,5-dioxo-2-(thiophen-2-yl)pyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Smiles: CCOC(=O)c1sc(nc1C)N1C(=O)C(=O)/C(=C(\c2ccc(cc2)OC)/O)/C1c1cccs1

STK621832
Synonyms: methyl1-[(1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-1,4-dihydroquinolin-3-yl)carbonyl]piperidine-4-carboxylate
Smiles: COC(=O)C1CCN(CC1)C(=O)c1cn(C2CC2)c2c(c1=O)cc(c(c2OC)F)F

STK621833
Synonyms: 2-{2-[({[(E)-(2-methoxyphenyl)methylidene]amino}oxy)methyl]-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl}ethanol
Smiles: OCCn1c(C)c(c2c1ncn1c2nc(n1)CO/N=C/c1ccccc1OC)C

STK621835
Synonyms: 11-methyl-3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-5-(propylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCCN1CCCCC1)nn2)C(C)CCC3

STK621836
Synonyms: N-(4-{(3E)-3-[(2-methyl-2H-chromen-3-yl)methylidene]-2,5-dioxopyrrolidin-1-yl}phenyl)acetamide
Smiles: CC(=O)Nc1ccc(cc1)N1C(=O)C/C(=C\C2=Cc3ccccc3OC2C)/C1=O

STK621837
Synonyms: 6-amino-7-(furan-2-ylmethyl)-3,3-dimethyl-8-thioxo-3,4,7,8-tetrahydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
Smiles: N#Cc1c(N)n(Cc2ccco2)c(=S)c2c1CC(C)(C)OC2

STK621838
Synonyms: N-(2-methoxyethyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine
Smiles: COCCNc1nc2sc3c(c2c2n1ncn2)CCCC3

STK621841
Synonyms: 6,6-dimethyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-ol
Smiles: CSc1nc(O)c2c(n1)sc1c2CC(OC1)(C)C

STK621843
Synonyms: 4-amino-N-(2-methoxyethyl)-3-(2-methoxyphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
Smiles: COCCNC(=O)c1sc(=S)n(c1N)c1ccccc1OC

STK621845
Synonyms: N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-{2-[(pyridin-4-ylmethyl)carbamoyl]phenyl}ethanediamide
Smiles: CCN1CCCC1CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccncc1

STK621846
Synonyms: 1-({[3-(4-chlorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetyl)piperidine-4-carboxamide
Smiles: NC(=O)C1CCN(CC1)C(=O)COc1ccc2c(c1)oc(c(c2=O)c1ccc(cc1)Cl)C

STK621848
Synonyms: N-(4-chlorophenyl)-1-(pyrimidin-2-yl)piperidine-3-carboxamide
Smiles: O=C(C1CCCN(C1)c1ncccn1)Nc1ccc(cc1)Cl

STK621849
Synonyms: (4E)-1-(furan-2-ylmethyl)-4-(hydroxy{4-[(3-methylbenzyl)oxy]phenyl}methylidene)-5-phenylpyrrolidine-2,3-dione
Smiles: Cc1cccc(c1)COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1)Cc1ccco1)/O

STK621851
Synonyms: (2Z)-2-(2,5-dimethoxybenzylidene)-7-[(3,5-dimethylpiperidinium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: COc1ccc(cc1/C=C/1\Oc2c(C1=O)ccc(c2C[NH+]1CC(C)CC(C1)C)[O-])OC

STK621853
Synonyms: 2-methyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]benzamide
Smiles: O=C(c1ccccc1C)Nc1nonc1c1ccc2c(c1)CCCC2

STK621854
Synonyms: (3E)-1-(5-chloro-2-methoxyphenyl)-3-(3,4-dihydroxybenzylidene)pyrrolidine-2,5-dione
Smiles: COc1ccc(cc1N1C(=O)C/C(=C\c2ccc(c(c2)O)O)/C1=O)Cl

STK621859
Synonyms: 8-(azepanium-1-ylmethyl)-2-methyl-4-oxo-3-phenyl-4H-chromen-7-olate
Smiles: [O-]c1ccc2c(c1C[NH+]1CCCCCC1)oc(c(c2=O)c1ccccc1)C

STK621864
Synonyms: 6-benzyl-3-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-a]phthalazine
Smiles: COc1cc(cc(c1OC)OC)c1nnc2n1nc(Cc1ccccc1)c1c2cccc1

STK621867
Synonyms: 7-(5-bromopyridin-2-yl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-5,6-dimethyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-imine
Smiles: COc1cc(ccc1OC)CCn1cnc2c(c1=N)c(C)c(n2c1ccc(cn1)Br)C

STK621869
Synonyms: N-(4-ethoxyphenyl)-N-[(6-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)methyl]pyridine-4-carboxamide
Smiles: CCOc1ccc(cc1)N(C(=O)c1ccncc1)Cc1cc2cc(OC)ccc2[nH]c1=O

STK621871
Synonyms: 4-[3-(1H-imidazol-1-yl)propyl]-5-(pyridin-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: S=c1[nH]nc(n1CCCn1cncc1)c1cccnc1

STK621872
Synonyms: ethyl4-(10-cyano-9-hydroxy-6,8-diazaspiro[4.5]deca-6,8-dien-7-yl)piperazine-1-carboxylate
Smiles: CCOC(=O)N1CCN(CC1)C1=NC2(C(C(=N1)O)C#N)CCCC2

STK621873
Synonyms: (5Z)-5-{[(2,5-dimethoxyphenyl)amino]methylidene}-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Smiles: N#CC1=C(C)/C(=C/Nc2cc(OC)ccc2OC)/C(=O)N(C1=O)C1CCS(=O)(=O)C1

STK621874
Synonyms: N-(4-chlorobenzyl)-2-methoxy-5-(4-methyl-1,1-dioxido-3-oxo-1,2-thiazolidin-2-yl)benzenesulfonamide
Smiles: COc1ccc(cc1S(=O)(=O)NCc1ccc(cc1)Cl)N1C(=O)C(CS1(=O)=O)C

STK621875
Synonyms: 1-[(4-methoxyphenyl)sulfonyl]-N-{3-oxo-3-[(2-phenylethyl)amino]propyl}piperidine-3-carboxamide
Smiles: COc1ccc(cc1)S(=O)(=O)N1CCCC(C1)C(=O)NCCC(=O)NCCc1ccccc1

STK621876
Synonyms: ethyl7-(4-methoxyphenyl)-2-methyl-5-propyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Smiles: CCOC(=O)C1=C(CCC)N=c2n(C1c1ccc(cc1)OC)nc([nH]2)C

STK621877
Synonyms: methyl3-({[4-(4,4-dimethyl-1,1-dioxido-3-oxo-1,2-thiazolidin-2-yl)phenyl]sulfonyl}amino)benzoate
Smiles: COC(=O)c1cccc(c1)NS(=O)(=O)c1ccc(cc1)N1C(=O)C(CS1(=O)=O)(C)C

STK621879
Synonyms: 4-(2-methoxyphenyl)-3,7,7-trimethyl-4,6,7,8-tetrahydro[1,2]oxazolo[5,4-b]quinolin-5-ol
Smiles: COc1ccccc1C1C2=C(O)CC(CC2=Nc2c1c(C)no2)(C)C

STK621880
Synonyms: N-(2-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-1-ethyl-1H-benzimidazol-5-yl)benzenesulfonamide
Smiles: CCn1c(CSc2nc(C)cc(n2)C)nc2c1ccc(c2)NS(=O)(=O)c1ccccc1

STK621881
Synonyms: ethyl[7-hydroxy-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]acetate
Smiles: CCOC(=O)Cc1cc(O)n2c(n1)nc(n2)SC

STK621883
Synonyms: 3-(4-chlorophenyl)-4-(3,5-difluorophenyl)-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6-ol
Smiles: Clc1ccc(cc1)c1n[nH]c2c1C(CC(=N2)O)c1cc(F)cc(c1)F

STK621884
Synonyms: 1-(1H-indol-3-ylacetyl)-N-(3-methoxyphenyl)piperidine-3-carboxamide
Smiles: COc1cccc(c1)NC(=O)C1CCCN(C1)C(=O)Cc1c[nH]c2c1cccc2

STK621886
Synonyms: 3-(4-bromophenyl)-5-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,2,4-oxadiazole
Smiles: Brc1ccc(cc1)c1noc(n1)CCc1c(C)noc1C

STK621894
Synonyms: (4E)-1-(6-ethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(5-methylfuran-2-yl)methylidene]-5-phenylpyrrolidine-2,3-dione
Smiles: CCc1ccc2c(c1)sc(n2)N1C(c2ccccc2)/C(=C(/c2ccc(o2)C)\O)/C(=O)C1=O

STK621895
Synonyms: 5-(4-fluorophenyl)-4-(2-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1ccccc1n1c(=S)[nH]nc1c1ccc(cc1)F

STK621896
Synonyms: 4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-imino-1-(4-methoxybenzyl)-2,5-dihydro-1H-pyrrol-3-ol
Smiles: COc1ccc(cc1)CN1CC(=C(C1=N)c1sc(c(n1)C)C)O

STK621897
Synonyms: [2-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3-benzothiazol-6-yl][4-(pyrimidin-2-yl)piperazin-1-yl]methanone
Smiles: O=C(c1ccc2c(c1)sc(n2)n1c(C)ccc1C)N1CCN(CC1)c1ncccn1

STK621898
Synonyms: 5-(4,4-dimethyl-1,1-dioxido-3-oxo-1,2-thiazolidin-2-yl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-ethyl-2-methoxybenzenesulfonamide
Smiles: CCN(S(=O)(=O)c1cc(ccc1OC)N1C(=O)C(CS1(=O)=O)(C)C)C1CCS(=O)(=O)C1

STK621900
Synonyms: 1-(3-methoxypropyl)-3-phenyl-1-(pyridin-2-ylmethyl)urea
Smiles: COCCCN(C(=O)Nc1ccccc1)Cc1ccccn1

STK621902
Synonyms: N-[2-(1H-indol-3-yl)ethyl]-4-nitro-2,1,3-benzoxadiazol-5-amine
Smiles: [O-][N+](=O)c1c(NCCc2c[nH]c3c2cccc3)ccc2c1non2

STK621903
Synonyms: 10-acetyl-8-(3-chloro-2-methylphenyl)-3-methoxy-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: COc1ccc2c(c1)C=CC1N2C(C(=O)C)C2C1C(=O)N(C2=O)c1cccc(c1C)Cl

STK621907
Synonyms: (4E)-4-[hydroxy(4-methoxy-2-methylphenyl)methylidene]-5-(4-hydroxyphenyl)-1-(3-methoxypropyl)pyrrolidine-2,3-dione
Smiles: COCCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2C)OC)/O)/C1c1ccc(cc1)O

STK621909
Synonyms: 2-(benzylsulfanyl)-1-(2-methoxybenzyl)-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazole5,5-dioxide
Smiles: COc1ccccc1CN1C(=NC2C1CS(=O)(=O)C2)SCc1ccccc1

STK621914
Synonyms: 1-[(4-fluorophenyl)sulfonyl]-N-{3-oxo-3-[(3-phenylpropyl)amino]propyl}piperidine-3-carboxamide
Smiles: O=C(NCCCc1ccccc1)CCNC(=O)C1CCCN(C1)S(=O)(=O)c1ccc(cc1)F

STK621917
Synonyms: 2-(7-methoxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
Smiles: COc1ccc2c(c1C)oc(=O)c(c2C)CC(=O)Nc1ccc(cc1)N1CCC(CC1)C

STK621919
Synonyms: (2E)-1-(1,3-benzodioxol-5-yl)-3-phenylprop-2-en-1-one
Smiles: O=C(c1ccc2c(c1)OCO2)/C=C/c1ccccc1

STK621921
Synonyms: (5E)-5-{[(2,3-dichlorophenyl)amino]methylidene}-1-ethyl-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Smiles: CCN1C(=O)/C(=C/Nc2cccc(c2Cl)Cl)/C(=C(C1=O)C#N)C

STK621922
Synonyms: 2,3,5,9-tetramethyl-6-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-7H-furo[3,2-g]chromen-7-one
Smiles: O=C(N1CCN(CC1)c1ccccn1)Cc1c(=O)oc2c(c1C)cc1c(c2C)oc(c1C)C

STK621923
Synonyms: 4-(4,4-dimethyl-1,1-dioxido-3-oxo-1,2-thiazolidin-2-yl)-N-methyl-N-[2-(pyridin-4-yl)ethyl]benzenesulfonamide
Smiles: O=C1N(c2ccc(cc2)S(=O)(=O)N(CCc2ccncc2)C)S(=O)(=O)CC1(C)C

STK621924
Synonyms: ethyl4-(furan-2-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-oxo-1,4,5,6-tetrahydropyrimidine-5-carboxylate
Smiles: CCOC(=O)C1C(=O)NC(=NC1c1ccco1)N1CCN(CC1)c1cccc(c1)OC

STK621928
Synonyms: N-(3-chloro-4-methoxyphenyl)-2-[(9-oxo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-7-yl)oxy]acetamide
Smiles: COc1ccc(cc1Cl)NC(=O)COc1ccc2c(c1)c(=O)n1c(n2)CCC1

STK621931
Synonyms: (4E)-5-(3-bromophenyl)-4-[hydroxy(4-methoxy-3-methylphenyl)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Smiles: COc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)Br)c1nc2c(s1)cc(cc2)C)/O

STK621934
Synonyms: 2-(3,4-dimethylphenyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one
Smiles: Cc1cc(=O)n([nH]1)c1ccc(c(c1)C)C

STK621935
Synonyms: 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-[4-(dimethylamino)phenyl]-5-imino-2,5-dihydro-1H-pyrrol-3-ol
Smiles: Clc1ccc(cc1)c1csc(n1)C1=C(O)CN(C1=N)c1ccc(cc1)N(C)C

STK621936
Synonyms: 4-(butylamino)tetrahydrothiophene-3-ol1,1-dioxide
Smiles: CCCCNC1CS(=O)(=O)CC1O

STK621937
Synonyms: N-(1-{[2-(4-chlorophenyl)ethyl]amino}-1-oxo-3-phenylpropan-2-yl)-3-hydroxyquinoxaline-1(2H)-carboxamide
Smiles: O=C(C(NC(=O)N1CC(=Nc2c1cccc2)O)Cc1ccccc1)NCCc1ccc(cc1)Cl

STK621938
Synonyms: 5-(furan-2-yl)-2,2-dimethyl-9-[2-(morpholin-4-yl)-2-oxoethyl]-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(9H)-one
Smiles: O=C(N1CCOCC1)Cn1cnc2c(c1=O)sc1c2c2CC(C)(C)OCc2c(n1)c1ccco1

STK621939
Synonyms: (4E)-4-[(3,4-dimethoxyphenyl)(hydroxy)methylidene]-1-(5-methyl-1,2-oxazol-3-yl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione
Smiles: COc1ccc(cc1OC)/C(=C\1/C(c2ccc(cc2)[N+](=O)[O-])N(C(=O)C1=O)c1noc(c1)C)/O

STK621940
Synonyms: (6Z)-6-{4-[2-(2,5-dimethylphenoxy)ethoxy]benzylidene}-5-imino-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: Cc1ccc(c(c1)OCCOc1ccc(cc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1)C

STK621941
Synonyms: N-(pyridin-4-yl)-2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carboxamide
Smiles: O=C(c1ccc2c(c1)sc(n2)n1cccc1)Nc1ccncc1

STK621942
Synonyms: 5-(4,4-dimethyl-1,1-dioxido-3-oxo-1,2-thiazolidin-2-yl)-2-methoxy-N-phenylbenzenesulfonamide
Smiles: COc1ccc(cc1S(=O)(=O)Nc1ccccc1)N1C(=O)C(CS1(=O)=O)(C)C

STK621943
Synonyms: 5-[3-(furan-2-yl)-1H-pyrazol-5-yl]-4-(pyridin-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: S=c1[nH]nc(n1c1cccnc1)c1[nH]nc(c1)c1ccco1

STK621944
Synonyms: (4E)-4-[hydroxy(4-methylphenyl)methylidene]-1-(5-methyl-1,2-oxazol-3-yl)-5-(thiophen-2-yl)pyrrolidine-2,3-dione
Smiles: Cc1ccc(cc1)/C(=C\1/C(c2cccs2)N(C(=O)C1=O)c1noc(c1)C)/O

STK621946
Synonyms: methyl4-(5-{(E)-[1-(1,3-benzodioxol-5-yl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)benzoate
Smiles: COC(=O)c1ccc(cc1)c1ccc(o1)/C=C/1\C(=NC(=O)N(C1=O)c1ccc2c(c1)OCO2)O

STK621950
Synonyms: 1-{[4-(acetylamino)phenyl]sulfonyl}-N-[3-(cyclopropylamino)-3-oxopropyl]piperidine-4-carboxamide
Smiles: O=C(NC1CC1)CCNC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)NC(=O)C

STK621951
Synonyms: (5E)-5-(2H-chromen-3-ylmethylidene)-3-(morpholin-4-yl)-2-thioxo-1,3-thiazolidin-4-one
Smiles: S=C1S/C(=C/C2=Cc3c(OC2)cccc3)/C(=O)N1N1CCOCC1

STK621955
Synonyms: methyl3-[(E)-(3-benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1/C=C\1/SC(=S)N(C1=O)Cc1ccccc1)cccc2

STK621956
Synonyms: 2-[5-(furan-2-yl)-2,2-dimethyl-8-oxo-1,8-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-9(4H)-yl]-N-(2-methoxyphenyl)acetamide
Smiles: COc1ccccc1NC(=O)Cn1cnc2c(c1=O)sc1c2c2CC(C)(C)OCc2c(n1)c1ccco1

STK621957
Synonyms: 2-[(4-cyanobenzyl)sulfanyl]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
Smiles: N#Cc1c(SCc2ccc(cc2)C#N)nc(cc1C(F)(F)F)c1ccccc1

STK621958
Synonyms: (2E)-2-[(4-chlorophenyl)sulfonyl]-3-[(2,4-difluorophenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1F)F)/S(=O)(=O)c1ccc(cc1)Cl

STK621961
Synonyms: N-[(2S)-4-(methylsulfanyl)-1-oxo-1-(propan-2-ylamino)butan-2-yl]-1-(phenylsulfonyl)piperidine-3-carboxamide
Smiles: CSCC[C@@H](C(=O)NC(C)C)NC(=O)C1CCCN(C1)S(=O)(=O)c1ccccc1

STK621962
Synonyms: N-[3-(acetylamino)phenyl]-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
Smiles: CC(=O)Nc1cccc(c1)NC(=O)c1nn(c2c1CCCC2)C1CCS(=O)(=O)C1

STK621966
Synonyms: 1-cyclopentyl-4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-imino-2,5-dihydro-1H-pyrrol-3-ol
Smiles: COc1cc(ccc1OC)c1csc(n1)C1=C(O)CN(C1=N)C1CCCC1

STK621967
Synonyms: N-[2-({[(2-oxo-2H-chromen-7-yl)oxy]acetyl}amino)ethyl]pyridine-4-carboxamide
Smiles: O=C(COc1ccc2c(c1)oc(=O)cc2)NCCNC(=O)c1ccncc1

STK621968
Synonyms: trans-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-{[(phenylsulfonyl)amino]methyl}cyclohexanecarboxamide
Smiles: CCN1CCN(CC1)C(=O)CNC(=O)[C@@H]1CC[C@H](CC1)CNS(=O)(=O)c1ccccc1

STK621969
Synonyms: N-(3,4-dimethoxyphenyl)-2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamide
Smiles: COc1ccc(cc1OC)NC(=O)COc1ccc2c(c1)oc(=O)cc2C

STK621971
Synonyms: methyl4-({[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]acetyl}amino)benzoate
Smiles: COc1cccc(c1)c1scc(n1)CC(=O)Nc1ccc(cc1)C(=O)OC

STK621972
Synonyms: N-[3-(dimethylamino)propyl]-2-(5-methoxy-4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-3-yl)acetamide
Smiles: COc1cc2OC(C)(C)CCc2c2c1c(C)c(CC(=O)NCCCN(C)C)c(=O)o2

STK621974
Synonyms: 1-(furan-2-yl)-3-{4-[oxo(pyrrolidin-1-yl)acetyl]piperazin-1-yl}-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
Smiles: N#Cc1c(nc(c2c1CCC2)c1ccco1)N1CCN(CC1)C(=O)C(=O)N1CCCC1

STK621977
Synonyms: 2-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)ccc(c2C)O)Nc1ccc(cc1)OC(F)(F)F

STK621978
Synonyms: N-[(6-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(4-methoxyphenyl)pyridine-2-carboxamide
Smiles: COc1ccc(cc1)N(C(=O)c1ccccn1)Cc1cc2cc(OC)ccc2[nH]c1=O

STK621979
Synonyms: 6-chloro-9-[1-(furan-2-yl)propan-2-yl]-4-methyl-9,10-dihydro-2H,8H-chromeno[8,7-e][1,3]oxazin-2-one
Smiles: CC(N1COc2c(C1)c1oc(=O)cc(c1cc2Cl)C)Cc1ccco1

STK621981
Synonyms: N-[4-(acetylamino)phenyl]-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
Smiles: CC(=O)Nc1ccc(cc1)NC(=O)c1nn(c2c1CCCC2)C1CCS(=O)(=O)C1

STK621982
Synonyms: (4E)-4-(hydroxy{4-[(3-methylbenzyl)oxy]phenyl}methylidene)-1-(2-methoxyethyl)-5-(thiophen-2-yl)pyrrolidine-2,3-dione
Smiles: COCCN1C(c2cccs2)/C(=C(/c2ccc(cc2)OCc2cccc(c2)C)\O)/C(=O)C1=O

STK621984
Synonyms: 5-imino-1-(2-methoxybenzyl)-4-(4-methyl-1,3-thiazol-2-yl)-2,5-dihydro-1H-pyrrol-3-ol
Smiles: COc1ccccc1CN1CC(=C(C1=N)c1scc(n1)C)O

STK621986
Synonyms: 3-[(5Z)-5-(4-fluorobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]propanamide
Smiles: OCC(Cc1ccccc1)NC(=O)CCN1C(=O)S/C(=C\c2ccc(cc2)F)/C1=O

STK621988
Synonyms: 3-methyl-1-phenyl-N'-(pyridin-2-ylcarbonyl)-1H-thieno[2,3-c]pyrazole-5-carbohydrazide
Smiles: O=C(c1cc2c(s1)n(nc2C)c1ccccc1)NNC(=O)c1ccccn1

STK621989
Synonyms: 2-(2,3,4,9-tetramethyl-7-oxo-7H-furo[2,3-f]chromen-8-yl)-N-[2-(thiophen-3-yl)ethyl]acetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)c1oc(c(c1c(c2)C)C)C)NCCc1ccsc1

STK621995
Synonyms: N-(3-fluorophenyl)-1-(7H-purin-6-yl)piperidine-3-carboxamide
Smiles: O=C(C1CCCN(C1)c1ncnc2c1[nH]cn2)Nc1cccc(c1)F

STK621996
Synonyms: (5E)-1-benzyl-5-[(9-methyl-11-oxo-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-10-yl)methylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: O=C1NC(=O)N(C(=O)/C/1=C/c1c(=O)oc2c(c1C)cc1c3c2CCCN3CCC1)Cc1ccccc1

STK621997
Synonyms: [2-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3-benzothiazol-6-yl][4-(2-methoxyphenyl)piperazin-1-yl]methanone
Smiles: COc1ccccc1N1CCN(CC1)C(=O)c1ccc2c(c1)sc(n2)n1c(C)ccc1C

STK621999
Synonyms: 2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-[(3S,4R)-4-hydroxytetrahydrothiophen-3-yl]acetamide
Smiles: O=C(CN1C(=O)S/C(=C\c2cccs2)/C1=O)N[C@@H]1CSC[C@@H]1O