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5WV
5WV
表記:2-methyl-3~{H}-isoindol-1-one
組成式:C9 H9 N O
SMILES:CN1Cc2ccccc2C1=O
InChi:InChI=1S/C9H9NO/c1-10-6-7-4-2-3-5-8(7)9(10)11/h2-5H,6H2,1H3
定義日:2015-12-17
最終更新日:2016-01-08
公開日:2016-01-13
識別子（ID）:2-methyl-3~{H}-isoindol-1-one
5WX
5WX
表記:4-methoxy-1,2-benzoxazol-3-amine
組成式:C8 H8 N2 O2
SMILES:COc1cccc2onc(N)c12
InChi:InChI=1S/C8H8N2O2/c1-11-5-3-2-4-6-7(5)8(9)10-12-6/h2-4H,1H3,(H2,9,10)
定義日:2015-12-17
最終更新日:2016-01-08
公開日:2016-01-13
識別子（ID）:4-methoxy-1,2-benzoxazol-3-amine
5WY
5WY
表記:2,3-dihydro-1,4-benzodioxine-5-carboxamide
組成式:C9 H9 N O3
SMILES:NC(=O)c1cccc2OCCOc12
InChi:InChI=1S/C9H9NO3/c10-9(11)6-2-1-3-7-8(6)13-5-4-12-7/h1-3H,4-5H2,(H2,10,11)
定義日:2015-12-17
最終更新日:2016-01-08
公開日:2016-01-13
識別子（ID）:2,3-dihydro-1,4-benzodioxine-5-carboxamide
5WZ
5WZ
表記:(4-azanylpiperidin-1-yl)-cyclopropyl-methanone
組成式:C9 H16 N2 O
SMILES:NC1CCN(CC1)C(=O)C2CC2
InChi:InChI=1S/C9H16N2O/c10-8-3-5-11(6-4-8)9(12)7-1-2-7/h7-8H,1-6,10H2
定義日:2015-12-17
最終更新日:2016-01-08
公開日:2016-01-13
識別子（ID）:(4-azanylpiperidin-1-yl)-cyclopropyl-methanone
5X0
5X0
表記:~{N}-methyl-2-(oxan-4-yloxy)-5-(2-oxidanylidene-2-phenylazanyl-ethoxy)benzamide
組成式:C21 H24 N2 O5
SMILES:CNC(=O)c1cc(OCC(=O)Nc2ccccc2)ccc1OC3CCOCC3
InChi:InChI=1S/C21H24N2O5/c1-22-21(25)18-13-17(7-8-19(18)28-16-9-11-26-12-10-16)27-14-20(24)23-15-5-3-2-4-6-15/h2-8,13,16H,9-12,14H2,1H3,(H,22,25)(H,23,24)
定義日:2015-12-17
最終更新日:2016-01-08
公開日:2016-01-13
識別子（ID）:~{N}-methyl-2-(oxan-4-yloxy)-5-(2-oxidanylidene-2-phenylazanyl-ethoxy)benzamide
5XE
5XE
表記:4-bromanyl-~{N}-(6-methoxy-1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)-2-methyl-benzenesulfonamide
組成式:C17 H18 Br N3 O4 S
SMILES:COc1cc2N(C)C(=O)N(C)c2cc1N[S](=O)(=O)c3ccc(Br)cc3C
InChi:InChI=1S/C17H18BrN3O4S/c1-10-7-11(18)5-6-16(10)26(23,24)19-12-8-13-14(9-15(12)25-4)21(3)17(22)20(13)2/h5-9,19H,1-4H3
定義日:2015-12-20
最終更新日:2016-01-08
公開日:2016-01-13
識別子（ID）:4-bromanyl-~{N}-(6-methoxy-1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)-2-methyl-benzenesulfonamide
35M
35M
表記:2-[5-[(4-hydroxyphenyl)carbonylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid
組成式:C19 H14 N2 O5
SMILES:OC(=O)c1ccnc(c1)c2cc(NC(=O)c3ccc(O)cc3)ccc2O
InChi:InChI=1S/C19H14N2O5/c22-14-4-1-11(2-5-14)18(24)21-13-3-6-17(23)15(10-13)16-9-12(19(25)26)7-8-20-16/h1-10,22-23H,(H,21,24)(H,25,26)
定義日:2015-07-10
最終更新日:2016-01-08
公開日:2016-01-13
識別子（ID）:2-[5-[(4-hydroxyphenyl)carbonylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid
94A
94A
表記:(4R,7S)-7-hydroxy-1-(4-methoxybenzyl)-7-methyl-4,5,6,7-tetrahydro-1H-benzotriazol-4-yl propan-2-ylcarbamate
組成式:C19 H26 N4 O4
SMILES:O=C(NC(C)C)OC1CCC(c2c1nnn2Cc3ccc(OC)cc3)(C)O
InChi:InChI=1S/C19H26N4O4/c1-12(2)20-18(24)27-15-9-10-19(3,25)17-16(15)21-22-23(17)11-13-5-7-14(26-4)8-6-13/h5-8,12,15,25H,9-11H2,1-4H3,(H,20,24)/t15-,19+/m1/s1
定義日:2015-08-12
最終更新日:2016-01-08
公開日:2016-01-13
識別子（ID）:(4R,7S)-7-hydroxy-1-(4-methoxybenzyl)-7-methyl-4,5,6,7-tetrahydro-1H-benzotriazol-4-yl propan-2-ylcarbamate
9CJ
9CJ
表記:2-[5-[2-(3-methoxyphenyl)ethanoylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid
組成式:C21 H18 N2 O5
SMILES:COc1cccc(CC(=O)Nc2ccc(O)c(c2)c3cc(ccn3)C(O)=O)c1
InChi:InChI=1S/C21H18N2O5/c1-28-16-4-2-3-13(9-16)10-20(25)23-15-5-6-19(24)17(12-15)18-11-14(21(26)27)7-8-22-18/h2-9,11-12,24H,10H2,1H3,(H,23,25)(H,26,27)
定義日:2015-07-11
最終更新日:2016-01-08
公開日:2016-01-13
識別子（ID）:2-[5-[2-(3-methoxyphenyl)ethanoylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid
E0A
E0A
表記:N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)butane-1-sulfonamide
組成式:C17 H20 N2 O3 S
SMILES:CCCCS(Nc1c3c2c(cc1)N(C(c2ccc3)=O)CC)(=O)=O
InChi:InChI=1S/C17H20N2O3S/c1-3-5-11-23(21,22)18-14-9-10-15-16-12(14)7-6-8-13(16)17(20)19(15)4-2/h6-10,18H,3-5,11H2,1-2H3
定義日:2015-08-10
最終更新日:2016-01-08
公開日:2016-01-13
識別子（ID）:N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)butane-1-sulfonamide
E0B
E0B
表記:N-[(1-acetylpiperidin-4-yl)methyl]-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
組成式:C21 H25 N3 O4 S
SMILES:C1C(CCN(C1)C(=O)C)CNS(=O)(c3ccc2N(C(c4c2c3ccc4)=O)CC)=O
InChi:InChI=1S/C21H25N3O4S/c1-3-24-18-7-8-19(16-5-4-6-17(20(16)18)21(24)26)29(27,28)22-13-15-9-11-23(12-10-15)14(2)25/h4-8,15,22H,3,9-13H2,1-2H3
定義日:2015-08-10
最終更新日:2016-01-08
公開日:2016-01-13
識別子（ID）:N-[(1-acetylpiperidin-4-yl)methyl]-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
E0C
E0C
表記:5-bromo-N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-2-methoxybenzenesulfonamide
組成式:C20 H17 Br N2 O4 S
SMILES:CCN2C(=O)c1c3c(ccc1)c(ccc23)NS(=O)(=O)c4cc(Br)ccc4OC
InChi:InChI=1S/C20H17BrN2O4S/c1-3-23-16-9-8-15(13-5-4-6-14(19(13)16)20(23)24)22-28(25,26)18-11-12(21)7-10-17(18)27-2/h4-11,22H,3H2,1-2H3
定義日:2015-09-29
最終更新日:2016-01-08
公開日:2016-01-13
識別子（ID）:5-bromo-N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-2-methoxybenzenesulfonamide
EB0
EB0
表記:1-ethyl-N-(4-fluorophenyl)-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
組成式:C19 H15 F N2 O3 S
SMILES:CCN2C(=O)c1c3c(ccc1)c(ccc23)S(=O)(=O)Nc4ccc(F)cc4
InChi:InChI=1S/C19H15FN2O3S/c1-2-22-16-10-11-17(14-4-3-5-15(18(14)16)19(22)23)26(24,25)21-13-8-6-12(20)7-9-13/h3-11,21H,2H2,1H3
定義日:2015-07-29
最終更新日:2016-01-08
公開日:2016-01-13
識別子（ID）:1-ethyl-N-(4-fluorophenyl)-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
EB2
EB2
表記:N-cycloheptyl-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
組成式:C20 H24 N2 O3 S
SMILES:C1CCCCCC1NS(=O)(c2c4c3c(cc2)N(C(c3ccc4)=O)CC)=O
InChi:InChI=1S/C20H24N2O3S/c1-2-22-17-12-13-18(15-10-7-11-16(19(15)17)20(22)23)26(24,25)21-14-8-5-3-4-6-9-14/h7,10-14,21H,2-6,8-9H2,1H3
定義日:2015-07-29
最終更新日:2016-01-08
公開日:2016-01-13
識別子（ID）:N-cycloheptyl-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
EB3
EB3
表記:N-cyclohexyl-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
組成式:C19 H22 N2 O3 S
SMILES:C1C(CCCC1)NS(=O)(c3ccc2N(C(c4c2c3ccc4)=O)CC)=O
InChi:InChI=1S/C19H22N2O3S/c1-2-21-16-11-12-17(14-9-6-10-15(18(14)16)19(21)22)25(23,24)20-13-7-4-3-5-8-13/h6,9-13,20H,2-5,7-8H2,1H3
定義日:2015-07-29
最終更新日:2016-01-08
公開日:2016-01-13
識別子（ID）:N-cyclohexyl-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
EB5
EB5
表記:N,1-diethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
組成式:C15 H16 N2 O3 S
SMILES:CCNS(=O)(c2ccc1N(C(c3c1c2ccc3)=O)CC)=O
InChi:InChI=1S/C15H16N2O3S/c1-3-16-21(19,20)13-9-8-12-14-10(13)6-5-7-11(14)15(18)17(12)4-2/h5-9,16H,3-4H2,1-2H3
定義日:2015-07-29
最終更新日:2016-01-08
公開日:2016-01-13
識別子（ID）:N,1-diethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
EB7
EB7
表記:2-chloro-N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-4-fluorobenzenesulfonamide
組成式:C19 H14 Cl F N2 O3 S
SMILES:Clc1cc(F)ccc1S(=O)(=O)Nc2c4c3c(cc2)N(C(c3ccc4)=O)CC
InChi:InChI=1S/C19H14ClFN2O3S/c1-2-23-16-8-7-15(12-4-3-5-13(18(12)16)19(23)24)22-27(25,26)17-9-6-11(21)10-14(17)20/h3-10,22H,2H2,1H3
定義日:2015-07-29
最終更新日:2016-01-08
公開日:2016-01-13
識別子（ID）:2-chloro-N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-4-fluorobenzenesulfonamide
EB8
EB8
表記:methyl 2-[(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfamoyl]benzoate
組成式:C21 H18 N2 O5 S
SMILES:CCN1c3c2c(C1=O)cccc2c(cc3)NS(=O)(c4c(cccc4)C(OC)=O)=O
InChi:InChI=1S/C21H18N2O5S/c1-3-23-17-12-11-16(13-8-6-9-15(19(13)17)20(23)24)22-29(26,27)18-10-5-4-7-14(18)21(25)28-2/h4-12,22H,3H2,1-2H3
定義日:2015-07-29
最終更新日:2016-01-08
公開日:2016-01-13
識別子（ID）:methyl 2-[(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfamoyl]benzoate
EB9
EB9
表記:N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)benzenesulfonamide
組成式:C19 H16 N2 O3 S
SMILES:CCN2C(=O)c1c3c(ccc1)c(ccc23)NS(=O)(=O)c4ccccc4
InChi:InChI=1S/C19H16N2O3S/c1-2-21-17-12-11-16(14-9-6-10-15(18(14)17)19(21)22)20-25(23,24)13-7-4-3-5-8-13/h3-12,20H,2H2,1H3
定義日:2015-07-29
最終更新日:2016-01-08
公開日:2016-01-13
識別子（ID）:N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)benzenesulfonamide
5U3
5U3
表記:3-azanyl-5-[(2~{S})-3-methylbutan-2-yl]-7-[1-methyl-5-(2-oxidanylpropan-2-yl)pyrazol-3-yl]-1~{H}-pyrazolo[4,3-c]pyridin-4-one
組成式:C18 H26 N6 O2
SMILES:CC(C)[CH](C)N1C=C(c2cc(n(C)n2)C(C)(C)O)c3[nH]nc(N)c3C1=O
InChi:InChI=1S/C18H26N6O2/c1-9(2)10(3)24-8-11(15-14(17(24)25)16(19)21-20-15)12-7-13(18(4,5)26)23(6)22-12/h7-10,26H,1-6H3,(H3,19,20,21)/t10-/m0/s1
定義日:2015-12-02
最終更新日:2016-01-08
公開日:2016-01-13
識別子（ID）:3-azanyl-5-[(2~{S})-3-methylbutan-2-yl]-7-[1-methyl-5-(2-oxidanylpropan-2-yl)pyrazol-3-yl]-1~{H}-pyrazolo[4,3-c]pyridin-4-one
5U4
5U4
表記:3-azanyl-5-(2-methylphenyl)-7-(1-methylpyrazol-3-yl)-1~{H}-pyrazolo[4,3-c]pyridin-4-one
組成式:C17 H16 N6 O
SMILES:Cn1ccc(n1)C2=CN(C(=O)c3c(N)n[nH]c23)c4ccccc4C
InChi:InChI=1S/C17H16N6O/c1-10-5-3-4-6-13(10)23-9-11(12-7-8-22(2)21-12)15-14(17(23)24)16(18)20-19-15/h3-9H,1-2H3,(H3,18,19,20)
定義日:2015-12-02
最終更新日:2016-01-08
公開日:2016-01-13
識別子（ID）:3-azanyl-5-(2-methylphenyl)-7-(1-methylpyrazol-3-yl)-1~{H}-pyrazolo[4,3-c]pyridin-4-one
5UT
5UT
表記:1-[3-[4-[2-[[4-chloranyl-5-(1-methylcyclopropyl)-2-oxidanyl-phenyl]amino]ethanoyl]piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one
組成式:C22 H29 Cl N4 O3
SMILES:CC1(CC1)c2cc(NCC(=O)N3CCN(CC3)C4CN(C4)C(=O)C=C)c(O)cc2Cl
InChi:InChI=1S/C22H29ClN4O3/c1-3-20(29)27-13-15(14-27)25-6-8-26(9-7-25)21(30)12-24-18-10-16(22(2)4-5-22)17(23)11-19(18)28/h3,10-11,15,24,28H,1,4-9,12-14H2,2H3
定義日:2015-12-03
最終更新日:2016-01-08
公開日:2016-01-13
識別子（ID）:1-[3-[4-[2-[[4-chloranyl-5-(1-methylcyclopropyl)-2-oxidanyl-phenyl]amino]ethanoyl]piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one
4KG
4KG
表記:2-amino-7-phenyl-3-{[(2R,5S)-5-phenyltetrahydrofuran-2-yl]methyl}quinazolin-4(3H)-one
組成式:C25 H23 N3 O2
SMILES:c1c(cccc1)C2OC(CC2)CN3C(N)=Nc4cc(ccc4C3=O)c5ccccc5
InChi:InChI=1S/C25H23N3O2/c26-25-27-22-15-19(17-7-3-1-4-8-17)11-13-21(22)24(29)28(25)16-20-12-14-23(30-20)18-9-5-2-6-10-18/h1-11,13,15,20,23H,12,14,16H2,(H2,26,27)/t20-,23+/m1/s1
定義日:2015-03-28
最終更新日:2016-01-08
公開日:2016-01-13
識別子（ID）:2-amino-7-phenyl-3-{[(2R,5S)-5-phenyltetrahydrofuran-2-yl]methyl}quinazolin-4(3H)-one
4O4
4O4
表記:6-chloro-N-{(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxopropan-2-yl]-2-oxo-2,3-dihydro-1H-pyrrol-3-yl}-N-(2-oxobutyl)naphthalene-2-sulfonamide
組成式:C25 H28 Cl N3 O6 S
SMILES:CCC(CN(C1C=CN(C1=O)C(C)C(=O)N2CCOCC2)S(c3cc4c(cc3)cc(Cl)cc4)(=O)=O)=O
InChi:InChI=1S/C25H28ClN3O6S/c1-3-21(30)16-29(36(33,34)22-7-5-18-14-20(26)6-4-19(18)15-22)23-8-9-28(25(23)32)17(2)24(31)27-10-12-35-13-11-27/h4-9,14-15,17,23H,3,10-13,16H2,1-2H3/t17-,23-/m0/s1
定義日:2015-04-24
最終更新日:2016-01-08
公開日:2016-01-13
識別子（ID）:6-chloro-N-{(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxopropan-2-yl]-2-oxo-2,3-dihydro-1H-pyrrol-3-yl}-N-(2-oxobutyl)naphthalene-2-sulfonamide
4O5
4O5
表記:4-[(3S)-3-({[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonyl}amino)-2-oxo-2,3-dihydro-1H-pyrrol-1-yl]-3-fluoro-N-methylbenzamide
組成式:C18 H15 Cl F N3 O4 S2
SMILES:CNC(c3ccc(N2C=CC(NS(C=Cc1ccc(Cl)s1)(=O)=O)C2=O)c(F)c3)=O
InChi:InChI=1S/C18H15ClFN3O4S2/c1-21-17(24)11-2-4-15(13(20)10-11)23-8-6-14(18(23)25)22-29(26,27)9-7-12-3-5-16(19)28-12/h2-10,14,22H,1H3,(H,21,24)/b9-7+/t14-/m0/s1
定義日:2015-04-26
最終更新日:2016-01-08
公開日:2016-01-13
識別子（ID）:4-[(3S)-3-({[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonyl}amino)-2-oxo-2,3-dihydro-1H-pyrrol-1-yl]-3-fluoro-N-methylbenzamide

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