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93H
93H
表記:4-[2-[2-(4-methoxyphenyl)ethylamino]ethyl]benzene-1,2-diol
組成式:C17 H21 N O3
SMILES:COc1ccc(CCNCCc2ccc(O)c(O)c2)cc1
InChi:InChI=1S/C17H21NO3/c1-21-15-5-2-13(3-6-15)8-10-18-11-9-14-4-7-16(19)17(20)12-14/h2-7,12,18-20H,8-11H2,1H3
定義日:2017-04-13
最終更新日:2017-09-22
公開日:2017-09-27
識別子（ID）:4-[2-[2-(4-methoxyphenyl)ethylamino]ethyl]benzene-1,2-diol
7DV
7DV
表記:2-methylbenzene-1,4-diol
組成式:C7 H8 O2
SMILES:Cc1cc(O)ccc1O
InChi:InChI=1S/C7H8O2/c1-5-4-6(8)2-3-7(5)9/h2-4,8-9H,1H3
定義日:2016-10-12
最終更新日:2017-09-22
公開日:2017-09-27
識別子（ID）:2-methylbenzene-1,4-diol
8VH
8VH
表記:1,3-dimethylbenzene
組成式:C8 H10
SMILES:Cc1cccc(C)c1
InChi:InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3
定義日:2017-03-13
最終更新日:2017-09-08
公開日:2017-09-13
識別子（ID）:1,3-dimethylbenzene
75W
75W
表記:4-[(E)-diazenyl]benzene-1-sulfonamide
組成式:C6 H7 N3 O2 S
SMILES:c1(S(=O)(=O)N)ccc(/N=N)cc1
InChi:InChI=1S/C6H7N3O2S/c7-9-5-1-3-6(4-2-5)12(8,10)11/h1-4,7H,(H2,8,10,11)/b9-7+
定義日:2016-09-02
最終更新日:2017-09-01
公開日:2017-09-06
識別子（ID）:4-[(E)-diazenyl]benzene-1-sulfonamide
83G
83G
表記:1-[(2R)-4-(benzenecarbonyl)-2-methylpiperazin-1-yl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione
組成式:C22 H22 N4 O4
SMILES:C(N1CCN(CC1C)C(=O)c2ccccc2)(C(c3cnc4c3c(ccn4)OC)=O)=O
InChi:InChI=1S/C22H22N4O4/c1-14-13-25(21(28)15-6-4-3-5-7-15)10-11-26(14)22(29)19(27)16-12-24-20-18(16)17(30-2)8-9-23-20/h3-9,12,14H,10-11,13H2,1-2H3,(H,23,24)/t14-/m1/s1
定義日:2016-12-21
最終更新日:2017-08-25
公開日:2017-08-30
識別子（ID）:1-[(2R)-4-(benzenecarbonyl)-2-methylpiperazin-1-yl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione
83J
83J
表記:1-[4-(benzenecarbonyl)piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
組成式:C24 H23 N7 O4
SMILES:C1CN(CCN1C(c2ccccc2)=O)C(=O)C(c5c4c(c(n3cnc(C)n3)ncc4OC)nc5)=O
InChi:InChI=1S/C24H23N7O4/c1-15-27-14-31(28-15)22-20-19(18(35-2)13-26-22)17(12-25-20)21(32)24(34)30-10-8-29(9-11-30)23(33)16-6-4-3-5-7-16/h3-7,12-14,25H,8-11H2,1-2H3
定義日:2016-12-21
最終更新日:2017-08-25
公開日:2017-08-30
識別子（ID）:1-[4-(benzenecarbonyl)piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
V26
V26
表記:2,3,6-tris(fluoranyl)-5-(methylamino)-4-(2-phenylethylsulfonyl)benzenesulfonamide
組成式:C15 H15 F3 N2 O4 S2
SMILES:CNc1c(F)c(c(F)c(F)c1[S](=O)(=O)CCc2ccccc2)[S](N)(=O)=O
InChi:InChI=1S/C15H15F3N2O4S2/c1-20-13-12(18)14(26(19,23)24)10(16)11(17)15(13)25(21,22)8-7-9-5-3-2-4-6-9/h2-6,20H,7-8H2,1H3,(H2,19,23,24)
定義日:2016-07-27
最終更新日:2017-08-11
公開日:2017-08-16
識別子（ID）:2,3,6-tris(fluoranyl)-5-(methylamino)-4-(2-phenylethylsulfonyl)benzenesulfonamide
V49
V49
表記:4-(1,3-benzothiazol-2-ylsulfanyl)-2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide
組成式:C13 H6 F4 N2 O2 S3
SMILES:N[S](=O)(=O)c1c(F)c(F)c(Sc2sc3ccccc3n2)c(F)c1F
InChi:InChI=1S/C13H6F4N2O2S3/c14-7-9(16)12(24(18,20)21)10(17)8(15)11(7)23-13-19-5-3-1-2-4-6(5)22-13/h1-4H,(H2,18,20,21)
定義日:2016-07-27
最終更新日:2017-08-11
公開日:2017-08-16
識別子（ID）:4-(1,3-benzothiazol-2-ylsulfanyl)-2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide
V51
V51
表記:4-(1-adamantylamino)-2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide
組成式:C16 H18 F4 N2 O2 S
SMILES:N[S](=O)(=O)c1c(F)c(F)c(NC23CC4CC(CC(C4)C2)C3)c(F)c1F
InChi:InChI=1S/C16H18F4N2O2S/c17-10-12(19)15(25(21,23)24)13(20)11(18)14(10)22-16-4-7-1-8(5-16)3-9(2-7)6-16/h7-9,22H,1-6H2,(H2,21,23,24)/t7-,8+,9-,16-
定義日:2016-07-27
最終更新日:2017-08-11
公開日:2017-08-16
識別子（ID）:4-(1-adamantylamino)-2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide
9OG
9OG
表記:4-(2-{[(2-amino-4-methylquinolin-7-yl)methyl]amino}ethyl)benzonitrile
組成式:C20 H20 N4
SMILES:C(Cc1ccc(C#N)cc1)NCc2ccc3c(c2)nc(N)cc3C
InChi:InChI=1S/C20H20N4/c1-14-10-20(22)24-19-11-17(6-7-18(14)19)13-23-9-8-15-2-4-16(12-21)5-3-15/h2-7,10-11,23H,8-9,13H2,1H3,(H2,22,24)
定義日:2017-05-23
最終更新日:2017-08-11
公開日:2017-08-16
識別子（ID）:4-(2-{[(2-amino-4-methylquinolin-7-yl)methyl]amino}ethyl)benzonitrile
9OJ
9OJ
表記:4-(2-{[(2-amino-4-methylquinolin-7-yl)methyl]amino}ethyl)-2-methylbenzonitrile
組成式:C21 H22 N4
SMILES:N#Cc1c(C)cc(cc1)CCNCc2cc3c(cc2)c(cc(n3)N)C
InChi:InChI=1S/C21H22N4/c1-14-9-16(3-5-18(14)12-22)7-8-24-13-17-4-6-19-15(2)10-21(23)25-20(19)11-17/h3-6,9-11,24H,7-8,13H2,1-2H3,(H2,23,25)
定義日:2017-05-23
最終更新日:2017-08-11
公開日:2017-08-16
識別子（ID）:4-(2-{[(2-amino-4-methylquinolin-7-yl)methyl]amino}ethyl)-2-methylbenzonitrile
9P7
9P7
表記:4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)-2-methylbenzonitrile
組成式:C20 H20 N4
SMILES:c31nc(ccc1ccc(CNCCc2cc(c(C#N)cc2)C)c3)N
InChi:InChI=1S/C20H20N4/c1-14-10-15(2-5-18(14)12-21)8-9-23-13-16-3-4-17-6-7-20(22)24-19(17)11-16/h2-7,10-11,23H,8-9,13H2,1H3,(H2,22,24)
定義日:2017-05-24
最終更新日:2017-08-11
公開日:2017-08-16
識別子（ID）:4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)-2-methylbenzonitrile
9PM
9PM
表記:4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)-2-chlorobenzonitrile
組成式:C19 H17 Cl N4
SMILES:N#Cc1ccc(cc1Cl)CCNCc2cc3c(cc2)ccc(N)n3
InChi:InChI=1S/C19H17ClN4/c20-17-9-13(1-4-16(17)11-21)7-8-23-12-14-2-3-15-5-6-19(22)24-18(15)10-14/h1-6,9-10,23H,7-8,12H2,(H2,22,24)
定義日:2017-05-24
最終更新日:2017-08-11
公開日:2017-08-16
識別子（ID）:4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)-2-chlorobenzonitrile
K86
K86
表記:4-tert-butyl-N-[6-(2-hydroxyethyloxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-pyrimidin-4-yl]benzenesulfonamide
組成式:C27 H29 N5 O6 S
SMILES:COc1ccccc1Oc2c(N[S](=O)(=O)c3ccc(cc3)C(C)(C)C)nc(nc2OCCO)c4ncccn4
InChi:InChI=1S/C27H29N5O6S/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24/h5-15,33H,16-17H2,1-4H3,(H,30,31,32)
定義日:2017-03-09
最終更新日:2017-08-11
公開日:2017-08-16
識別子（ID）:4-~{tert}-butyl-~{N}-[6-(2-hydroxyethyloxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-pyrimidin-4-yl]benzenesulfonamide
6YH
6YH
表記:4-[2-(benzimidazol-1-yl)ethanoyl]benzenesulfonamide
組成式:C15 H13 N3 O3 S
SMILES:N[S](=O)(=O)c1ccc(cc1)C(=O)Cn2cnc3ccccc23
InChi:InChI=1S/C15H13N3O3S/c16-22(20,21)12-7-5-11(6-8-12)15(19)9-18-10-17-13-3-1-2-4-14(13)18/h1-8,10H,9H2,(H2,16,20,21)
定義日:2016-07-26
最終更新日:2017-08-11
公開日:2017-08-16
識別子（ID）:4-[2-(benzimidazol-1-yl)ethanoyl]benzenesulfonamide
6YP
6YP
表記:4-butylbenzenesulfonamide
組成式:C10 H15 N O2 S
SMILES:CCCCc1ccc(cc1)[S](N)(=O)=O
InChi:InChI=1S/C10H15NO2S/c1-2-3-4-9-5-7-10(8-6-9)14(11,12)13/h5-8H,2-4H2,1H3,(H2,11,12,13)
定義日:2016-07-27
最終更新日:2017-08-11
公開日:2017-08-16
識別子（ID）:4-butylbenzenesulfonamide
6YQ
6YQ
表記:4-[2-(benzimidazol-1-yl)ethanoyl]-2-chloranyl-benzenesulfonamide
組成式:C15 H12 Cl N3 O3 S
SMILES:N[S](=O)(=O)c1ccc(cc1Cl)C(=O)Cn2cnc3ccccc23
InChi:InChI=1S/C15H12ClN3O3S/c16-11-7-10(5-6-15(11)23(17,21)22)14(20)8-19-9-18-12-3-1-2-4-13(12)19/h1-7,9H,8H2,(H2,17,21,22)
定義日:2016-07-27
最終更新日:2017-08-11
公開日:2017-08-16
識別子（ID）:4-[2-(benzimidazol-1-yl)ethanoyl]-2-chloranyl-benzenesulfonamide
6Z9
6Z9
表記:3-[(1S)-1,2,3,4-Tetrahydronapthalen-1-ylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
組成式:C18 H19 F3 N2 O5 S2
SMILES:N[S](=O)(=O)c1c(F)c(F)c(c(N[CH]2CCCc3ccccc23)c1F)[S](=O)(=O)CCO
InChi:InChI=1S/C18H19F3N2O5S2/c19-13-14(20)18(29(25,26)9-8-24)16(15(21)17(13)30(22,27)28)23-12-7-3-5-10-4-1-2-6-11(10)12/h1-2,4,6,12,23-24H,3,5,7-9H2,(H2,22,27,28)/t12-/m0/s1
定義日:2016-07-28
最終更新日:2017-08-11
公開日:2017-08-16
識別子（ID）:2,3,6-tris(fluoranyl)-4-(2-hydroxyethylsulfonyl)-5-[[(1~{S})-1,2,3,4-tetrahydronaphthalen-1-yl]amino]benzenesulfonamide
P94
P94
表記:4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)benzonitrile
組成式:C19 H18 N4
SMILES:N#Cc3ccc(CCNCc1cc2c(cc1)ccc(N)n2)cc3
InChi:InChI=1S/C19H18N4/c20-12-15-3-1-14(2-4-15)9-10-22-13-16-5-6-17-7-8-19(21)23-18(17)11-16/h1-8,11,22H,9-10,13H2,(H2,21,23)
定義日:2017-05-24
最終更新日:2017-08-11
公開日:2017-08-16
識別子（ID）:4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)benzonitrile
LS8
LS8
表記:4-cyano-~{N}-(1,3-dimethyl-2-oxidanylidene-quinolin-6-yl)-2-methoxy-benzenesulfonamide
組成式:C19 H17 N3 O4 S
SMILES:COc1cc(ccc1[S](=O)(=O)Nc2ccc3N(C)C(=O)C(=Cc3c2)C)C#N
InChi:InChI=1S/C19H17N3O4S/c1-12-8-14-10-15(5-6-16(14)22(2)19(12)23)21-27(24,25)18-7-4-13(11-20)9-17(18)26-3/h4-10,21H,1-3H3
定義日:2017-01-26
最終更新日:2017-08-04
公開日:2017-08-09
識別子（ID）:4-cyano-~{N}-(1,3-dimethyl-2-oxidanylidene-quinolin-6-yl)-2-methoxy-benzenesulfonamide
7CG
7CG
表記:2,5-dibromo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide
組成式:C16 H14 Br2 N2 O3 S
SMILES:c3c(S(=O)(Nc1cc(ccc1)N2CCCC2=O)=O)c(Br)ccc3Br
InChi:InChI=1S/C16H14Br2N2O3S/c17-11-6-7-14(18)15(9-11)24(22,23)19-12-3-1-4-13(10-12)20-8-2-5-16(20)21/h1,3-4,6-7,9-10,19H,2,5,8H2
定義日:2016-10-04
最終更新日:2017-08-04
公開日:2017-08-09
識別子（ID）:2,5-dibromo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide
7CJ
7CJ
表記:3-fluoro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide
組成式:C16 H15 F N2 O3 S
SMILES:C3CCN(c2cccc(NS(=O)(c1cccc(c1)F)=O)c2)C3=O
InChi:InChI=1S/C16H15FN2O3S/c17-12-4-1-7-15(10-12)23(21,22)18-13-5-2-6-14(11-13)19-9-3-8-16(19)20/h1-2,4-7,10-11,18H,3,8-9H2
定義日:2016-10-04
最終更新日:2017-08-04
公開日:2017-08-09
識別子（ID）:3-fluoro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide
7CM
7CM
表記:3-chloro-4-fluoro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide
組成式:C16 H14 Cl F N2 O3 S
SMILES:c2c(NS(=O)(c1ccc(c(c1)Cl)F)=O)cccc2N3CCCC3=O
InChi:InChI=1S/C16H14ClFN2O3S/c17-14-10-13(6-7-15(14)18)24(22,23)19-11-3-1-4-12(9-11)20-8-2-5-16(20)21/h1,3-4,6-7,9-10,19H,2,5,8H2
定義日:2016-10-04
最終更新日:2017-08-04
公開日:2017-08-09
識別子（ID）:3-chloro-4-fluoro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide
7CN
7CN
表記:3-bromo-N-[3-(2-oxo-2,3-dihydro-1H-pyrrol-1-yl)phenyl]benzene-1-sulfonamide
組成式:C16 H13 Br N2 O3 S
SMILES:C3C(N(c2cccc(NS(=O)(=O)c1cccc(Br)c1)c2)C=C3)=O
InChi:InChI=1S/C16H13BrN2O3S/c17-12-4-1-7-15(10-12)23(21,22)18-13-5-2-6-14(11-13)19-9-3-8-16(19)20/h1-7,9-11,18H,8H2
定義日:2016-10-04
最終更新日:2017-08-04
公開日:2017-08-09
識別子（ID）:3-bromo-N-[3-(2-oxo-2,3-dihydro-1H-pyrrol-1-yl)phenyl]benzene-1-sulfonamide
7CO
7CO
表記:2,6-difluoro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide
組成式:C16 H14 F2 N2 O3 S
SMILES:c2c(NS(=O)(c1c(F)cccc1F)=O)cccc2N3CCCC3=O
InChi:InChI=1S/C16H14F2N2O3S/c17-13-6-2-7-14(18)16(13)24(22,23)19-11-4-1-5-12(10-11)20-9-3-8-15(20)21/h1-2,4-7,10,19H,3,8-9H2
定義日:2016-10-04
最終更新日:2017-08-04
公開日:2017-08-09
識別子（ID）:2,6-difluoro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide

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