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99Z
99Z
表記:4-{[4-amino-5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
組成式:C17 H16 N4 O3 S2
SMILES:O=S(=O)(N)c3ccc(Nc1nc(c(s1)C(=O)c2ccccc2C)N)cc3
InChi:InChI=1S/C17H16N4O3S2/c1-10-4-2-3-5-13(10)14(22)15-16(18)21-17(25-15)20-11-6-8-12(9-7-11)26(19,23)24/h2-9H,18H2,1H3,(H,20,21)(H2,19,23,24)
定義日:2011-07-07
最終更新日:2012-10-26
公開日:2012-10-26
識別子（ID）:4-{[4-amino-5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
20Z
20Z
表記:4-{[4-amino-5-(naphthalen-2-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
組成式:C20 H16 N4 O3 S2
SMILES:O=S(=O)(N)c4ccc(Nc1nc(c(s1)C(=O)c3cc2ccccc2cc3)N)cc4
InChi:InChI=1S/C20H16N4O3S2/c21-19-18(17(25)14-6-5-12-3-1-2-4-13(12)11-14)28-20(24-19)23-15-7-9-16(10-8-15)29(22,26)27/h1-11H,21H2,(H,23,24)(H2,22,26,27)
定義日:2011-04-21
最終更新日:2012-10-26
公開日:2012-10-26
識別子（ID）:4-{[4-amino-5-(naphthalen-2-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
21Z
21Z
表記:3-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)amino]benzenesulfonamide
組成式:C16 H14 N4 O3 S2
SMILES:O=S(=O)(c3cc(Nc1nc(c(s1)C(=O)c2ccccc2)N)ccc3)N
InChi:InChI=1S/C16H14N4O3S2/c17-15-14(13(21)10-5-2-1-3-6-10)24-16(20-15)19-11-7-4-8-12(9-11)25(18,22)23/h1-9H,17H2,(H,19,20)(H2,18,22,23)
定義日:2011-04-25
最終更新日:2012-10-26
公開日:2012-10-26
識別子（ID）:3-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)amino]benzenesulfonamide
56Z
56Z
表記:4-{[4-amino-5-(4-methoxybenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
組成式:C17 H16 N4 O4 S2
SMILES:O=S(=O)(N)c3ccc(Nc1nc(c(s1)C(=O)c2ccc(OC)cc2)N)cc3
InChi:InChI=1S/C17H16N4O4S2/c1-25-12-6-2-10(3-7-12)14(22)15-16(18)21-17(26-15)20-11-4-8-13(9-5-11)27(19,23)24/h2-9H,18H2,1H3,(H,20,21)(H2,19,23,24)
定義日:2011-05-16
最終更新日:2012-10-26
公開日:2012-10-26
識別子（ID）:4-{[4-amino-5-(4-methoxybenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
03Z
03Z
表記:4-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)amino]benzenesulfonamide
組成式:C16 H14 N4 O3 S2
SMILES:O=S(=O)(N)c3ccc(Nc1nc(c(s1)C(=O)c2ccccc2)N)cc3
InChi:InChI=1S/C16H14N4O3S2/c17-15-14(13(21)10-4-2-1-3-5-10)24-16(20-15)19-11-6-8-12(9-7-11)25(18,22)23/h1-9H,17H2,(H,19,20)(H2,18,22,23)
定義日:2011-03-29
最終更新日:2012-10-26
公開日:2012-10-26
識別子（ID）:4-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)amino]benzenesulfonamide
04Z
04Z
表記:4-{[4-amino-5-(3-methoxybenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
組成式:C17 H16 N4 O4 S2
SMILES:O=S(=O)(N)c3ccc(Nc1nc(c(s1)C(=O)c2cccc(OC)c2)N)cc3
InChi:InChI=1S/C17H16N4O4S2/c1-25-12-4-2-3-10(9-12)14(22)15-16(18)21-17(26-15)20-11-5-7-13(8-6-11)27(19,23)24/h2-9H,18H2,1H3,(H,20,21)(H2,19,23,24)
定義日:2011-03-29
最終更新日:2012-10-26
公開日:2012-10-26
識別子（ID）:4-{[4-amino-5-(3-methoxybenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
26Z
26Z
表記:4-{[4-amino-5-(3-aminobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
組成式:C16 H15 N5 O3 S2
SMILES:O=S(=O)(N)c3ccc(Nc1nc(c(s1)C(=O)c2cccc(N)c2)N)cc3
InChi:InChI=1S/C16H15N5O3S2/c17-10-3-1-2-9(8-10)13(22)14-15(18)21-16(25-14)20-11-4-6-12(7-5-11)26(19,23)24/h1-8H,17-18H2,(H,20,21)(H2,19,23,24)
定義日:2011-04-28
最終更新日:2012-10-26
公開日:2012-10-26
識別子（ID）:4-{[4-amino-5-(3-aminobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
0VU
0VU
表記:4-({4-[3-(piperidin-1-ylcarbonyl)phenyl]pyrimidin-2-yl}amino)benzenesulfonamide
組成式:C22 H23 N5 O3 S
SMILES:O=C(c3cccc(c1nc(ncc1)Nc2ccc(cc2)S(=O)(=O)N)c3)N4CCCCC4
InChi:InChI=1S/C22H23N5O3S/c23-31(29,30)19-9-7-18(8-10-19)25-22-24-12-11-20(26-22)16-5-4-6-17(15-16)21(28)27-13-2-1-3-14-27/h4-12,15H,1-3,13-14H2,(H2,23,29,30)(H,24,25,26)
定義日:2012-07-13
最終更新日:2012-10-12
公開日:2012-10-12
識別子（ID）:4-({4-[3-(piperidin-1-ylcarbonyl)phenyl]pyrimidin-2-yl}amino)benzenesulfonamide
10J
10J
表記:3-{5-[(2E,4aR,7aR)-6-benzoyl-2-imino-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile
組成式:C25 H21 N5 O2 S
SMILES:O=C(c1ccccc1)N4CC5(c3scc(c2cc(C#N)ccc2)c3)NC(=[N@H])N(C(=O)C5C4)C
InChi:InChI=1S/C25H21N5O2S/c1-29-23(32)20-13-30(22(31)17-7-3-2-4-8-17)15-25(20,28-24(29)27)21-11-19(14-33-21)18-9-5-6-16(10-18)12-26/h2-11,14,20H,13,15H2,1H3,(H2,27,28)/t20-,25-/m0/s1
定義日:2012-09-23
最終更新日:2012-10-12
公開日:2012-10-12
識別子（ID）:3-{5-[(2E,4aR,7aR)-6-benzoyl-2-imino-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile
10W
10W
表記:2-fluoro-5-{5-[(2E,4aR,7aR)-2-imino-3-methyl-4-oxo-6-phenyloctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-2-yl}benzonitrile
組成式:C24 H20 F N5 O S
SMILES:Fc5ccc(c1sc(cc1)C42NC(=[N@H])N(C(=O)C2CN(c3ccccc3)C4)C)cc5C#N
InChi:InChI=1S/C24H20FN5OS/c1-29-22(31)18-13-30(17-5-3-2-4-6-17)14-24(18,28-23(29)27)21-10-9-20(32-21)15-7-8-19(25)16(11-15)12-26/h2-11,18H,13-14H2,1H3,(H2,27,28)/t18-,24-/m0/s1
定義日:2012-09-24
最終更新日:2012-10-12
公開日:2012-10-12
識別子（ID）:2-fluoro-5-{5-[(2E,4aR,7aR)-2-imino-3-methyl-4-oxo-6-phenyloctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-2-yl}benzonitrile
13W
13W
表記:3-{5-[(2E,4S)-2-imino-1,4-dimethyl-6-oxohexahydropyrimidin-4-yl]thiophen-3-yl}benzonitrile
組成式:C17 H16 N4 O S
SMILES:O=C3N(C(=[N@H])NC(c2scc(c1cc(C#N)ccc1)c2)(C)C3)C
InChi:InChI=1S/C17H16N4OS/c1-17(8-15(22)21(2)16(19)20-17)14-7-13(10-23-14)12-5-3-4-11(6-12)9-18/h3-7,10H,8H2,1-2H3,(H2,19,20)/t17-/m0/s1
定義日:2012-10-04
最終更新日:2012-10-12
公開日:2012-10-12
識別子（ID）:3-{5-[(2E,4S)-2-imino-1,4-dimethyl-6-oxohexahydropyrimidin-4-yl]thiophen-3-yl}benzonitrile
AZ3
AZ3
表記:4,4'-[heptane-1,7-diylbis(oxy)]dibenzenecarboximidamide
組成式:C21 H28 N4 O2
SMILES:O(c1ccc(cc1)C(=[N@H])N)CCCCCCCOc2ccc(C(=[N@H])N)cc2
InChi:InChI=1S/C21H28N4O2/c22-20(23)16-6-10-18(11-7-16)26-14-4-2-1-3-5-15-27-19-12-8-17(9-13-19)21(24)25/h6-13H,1-5,14-15H2,(H3,22,23)(H3,24,25)
定義日:2012-06-26
最終更新日:2012-10-12
公開日:2012-10-12
識別子（ID）:4,4'-[heptane-1,7-diylbis(oxy)]dibenzenecarboximidamide
0GH
0GH
表記:N-[(2S)-1-({(2S,3R)-3-hydroxy-1-[(2-methylpropyl)amino]-1-oxobutan-2-yl}amino)-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
組成式:C35 H47 N5 O6 S
SMILES:O=S(=O)(N(c1cc(cc(c1)C(=O)NC(Cc2ccccc2)CNC(C(=O)NCC(C)C)C(O)C)C(=O)NC(c3ccccc3)C)C)C
InChi:InChI=1S/C35H47N5O6S/c1-23(2)21-37-35(44)32(25(4)41)36-22-30(17-26-13-9-7-10-14-26)39-34(43)29-18-28(19-31(20-29)40(5)47(6,45)46)33(42)38-24(3)27-15-11-8-12-16-27/h7-16,18-20,23-25,30,32,36,41H,17,21-22H2,1-6H3,(H,37,44)(H,38,42)(H,39,43)/t24-,25-,30+,32+/m1/s1
定義日:2012-08-10
最終更新日:2012-10-05
公開日:2012-10-05
識別子（ID）:N-[(2S)-1-({(2S,3R)-3-hydroxy-1-[(2-methylpropyl)amino]-1-oxobutan-2-yl}amino)-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
0MY
0MY
表記:N-[4-(3-amino-1H-indazol-5-yl)phenyl]-3-chlorobenzenesulfonamide
組成式:C19 H15 Cl N4 O2 S
SMILES:Clc1cccc(c1)S(=O)(=O)Nc4ccc(c2cc3c(cc2)nnc3N)cc4
InChi:InChI=1S/C19H15ClN4O2S/c20-14-2-1-3-16(11-14)27(25,26)24-15-7-4-12(5-8-15)13-6-9-18-17(10-13)19(21)23-22-18/h1-11,24H,(H3,21,22,23)
定義日:2012-03-09
最終更新日:2012-09-28
公開日:2012-09-28
識別子（ID）:N-[4-(3-amino-1H-indazol-5-yl)phenyl]-3-chlorobenzenesulfonamide
PZB
PZB
表記:4-(4-phenoxy-1H-pyrazol-3-yl)benzene-1,3-diol
組成式:C15 H12 N2 O3
SMILES:Oc3cc(O)c(c2nncc2Oc1ccccc1)cc3
InChi:InChI=1S/C15H12N2O3/c18-10-6-7-12(13(19)8-10)15-14(9-16-17-15)20-11-4-2-1-3-5-11/h1-9,18-19H,(H,16,17)
定義日:2012-07-23
最終更新日:2012-08-31
公開日:2012-08-31
識別子（ID）:4-(4-phenoxy-1H-pyrazol-3-yl)benzene-1,3-diol
PK0
PK0
表記:4-[(4R)-4-(4-hydroxyphenyl)-3,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
組成式:C19 H14 F3 N3 O3
SMILES:FC(F)(F)c3cc(N2C(=O)N(C)C(c1ccc(O)cc1)(C2=O)C)ccc3C#N
InChi:InChI=1S/C19H14F3N3O3/c1-18(12-4-7-14(26)8-5-12)16(27)25(17(28)24(18)2)13-6-3-11(10-23)15(9-13)19(20,21)22/h3-9,26H,1-2H3/t18-/m1/s1
定義日:2011-12-20
最終更新日:2012-08-31
公開日:2012-08-31
識別子（ID）:4-[(4R)-4-(4-hydroxyphenyl)-3,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
99B
99B
表記:5-[(2R)-butan-2-ylamino]-N-{(3-endo)-8-[5-(cyclopropylcarbonyl)pyridin-2-yl]-8-azabicyclo[3.2.1]oct-3-yl}-2-methylbenzene-1,4-dicarboxamide
組成式:C29 H37 N5 O3
SMILES:O=C(N)c1c(NC(C)CC)cc(c(c1)C)C(=O)NC5CC4N(c3ncc(C(=O)C2CC2)cc3)C(CC4)C5
InChi:InChI=1S/C29H37N5O3/c1-4-17(3)32-25-14-23(16(2)11-24(25)28(30)36)29(37)33-20-12-21-8-9-22(13-20)34(21)26-10-7-19(15-31-26)27(35)18-5-6-18/h7,10-11,14-15,17-18,20-22,32H,4-6,8-9,12-13H2,1-3H3,(H2,30,36)(H,33,37)/t17-,20-,21+,22-/m1/s1
定義日:2012-06-06
最終更新日:2012-08-24
公開日:2012-08-24
識別子（ID）:N-{(3-endo)-8-[5-(cyclopropylcarbonyl)pyridin-2-yl]-8-azabicyclo[3.2.1]oct-3-yl}-2-methyl-5-{[(1R)-1-methylpropyl]amino}benzene-1,4-dicarboxamide
0S1
0S1
表記:N-((1R,2S)-2-allyl-4-oxocyclobutyl)-4-methylbenzenesulfonamide, bound form
組成式:C14 H19 N O3 S
SMILES:O=S(=O)(NC1C(CC=C)CC1O)c2ccc(cc2)C
InChi:InChI=1S/C14H19NO3S/c1-3-4-11-9-13(16)14(11)15-19(17,18)12-7-5-10(2)6-8-12/h3,5-8,11,13-16H,1,4,9H2,2H3/t11-,13-,14+/m0/s1
定義日:2012-05-14
最終更新日:2012-08-24
公開日:2012-08-24
識別子（ID）:N-[(1R,2S,4S)-2-hydroxy-4-(prop-2-en-1-yl)cyclobutyl]-4-methylbenzenesulfonamide
1TS
1TS
表記:(2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2S)-2-[(3-chloro-4-methoxybenzene)sulfonamido]-3-{[(4-cyanophenyl)methyl]carbamoyl}propanoyl]pyrrolidine-2-carboxamide
組成式:C32 H34 Cl N7 O6 S
SMILES:O=C(NCc1ccc(C(=[N@H])N)cc1)C4N(C(=O)C(NS(=O)(=O)c2ccc(OC)c(Cl)c2)CC(=O)NCc3ccc(C#N)cc3)CCC4
InChi:InChI=1S/C32H34ClN7O6S/c1-46-28-13-12-24(15-25(28)33)47(44,45)39-26(16-29(41)37-18-21-6-4-20(17-34)5-7-21)32(43)40-14-2-3-27(40)31(42)38-19-22-8-10-23(11-9-22)30(35)36/h4-13,15,26-27,39H,2-3,14,16,18-19H2,1H3,(H3,35,36)(H,37,41)(H,38,42)/t26-,27-/m0/s1
定義日:2011-12-08
最終更新日:2012-08-24
公開日:2012-08-24
識別子（ID）:N~2~-[(3-chloro-4-methoxyphenyl)sulfonyl]-N-(4-cyanobenzyl)-L-asparaginyl-N-(4-carbamimidoylbenzyl)-L-prolinamide
BSZ
BSZ
表記:3-chloro-4-methoxybenzenesulfonic acid
組成式:C7 H7 Cl O4 S
SMILES:Clc1cc(ccc1OC)S(=O)(=O)O
InChi:InChI=1S/C7H7ClO4S/c1-12-7-3-2-5(4-6(7)8)13(9,10)11/h2-4H,1H3,(H,9,10,11)
定義日:2011-10-26
最終更新日:2012-08-24
公開日:2012-08-24
識別子（ID）:3-chloro-4-methoxybenzenesulfonic acid
HK5
HK5
表記:4-[6-(1H-imidazol-1-ylmethyl)-7-methoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]benzonitrile
組成式:C22 H17 N5 O
SMILES:N#Cc1ccc(cc1)c2c4c(nn2)c3cc(OC)c(cc3C4)Cn5ccnc5
InChi:InChI=1S/C22H17N5O/c1-28-20-10-18-16(8-17(20)12-27-7-6-24-13-27)9-19-21(25-26-22(18)19)15-4-2-14(11-23)3-5-15/h2-8,10,13H,9,12H2,1H3,(H,25,26)
定義日:2012-07-02
最終更新日:2012-08-17
識別子（ID）:4-[6-(1H-imidazol-1-ylmethyl)-7-methoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]benzonitrile
0S0
0S0
表記:4-[(E)-(6-hydroxy-2-oxo-1,2-dihydropyridin-3-yl)diazenyl]benzenesulfonamide
組成式:C11 H10 N4 O4 S
SMILES:O=C2C(/N=N/c1ccc(cc1)S(=O)(=O)N)=CC=C(O)N2
InChi:InChI=1S/C11H10N4O4S/c12-20(18,19)8-3-1-7(2-4-8)14-15-9-5-6-10(16)13-11(9)17/h1-6H,(H2,12,18,19)(H2,13,16,17)/b15-14+
定義日:2012-05-14
最終更新日:2012-08-17
識別子（ID）:4-[(E)-(6-hydroxy-2-oxo-1,2-dihydropyridin-3-yl)diazenyl]benzenesulfonamide
3HK
3HK
表記:4-{7-methoxy-6-[3-(morpholin-4-yl)propoxy]-1,4-dihydroindeno[1,2-c]pyrazol-3-yl}benzonitrile
組成式:C25 H26 N4 O3
SMILES:N#Cc1ccc(cc1)c2nnc5c2Cc4cc(OCCCN3CCOCC3)c(OC)cc45
InChi:InChI=1S/C25H26N4O3/c1-30-22-15-20-19(14-23(22)32-10-2-7-29-8-11-31-12-9-29)13-21-24(27-28-25(20)21)18-5-3-17(16-26)4-6-18/h3-6,14-15H,2,7-13H2,1H3,(H,27,28)
定義日:2012-07-05
最終更新日:2012-08-17
識別子（ID）:4-{7-methoxy-6-[3-(morpholin-4-yl)propoxy]-1,4-dihydroindeno[1,2-c]pyrazol-3-yl}benzonitrile
X66
X66
表記:2-(4,6-diamino-1,3,5-triazin-2-yl)benzene-1,4-diol
組成式:C9 H9 N5 O2
SMILES:n1c(nc(nc1c2c(O)ccc(O)c2)N)N
InChi:InChI=1S/C9H9N5O2/c10-8-12-7(13-9(11)14-8)5-3-4(15)1-2-6(5)16/h1-3,15-16H,(H4,10,11,12,13,14)
定義日:2011-03-11
最終更新日:2012-08-03
識別子（ID）:2-(4,6-diamino-1,3,5-triazin-2-yl)benzene-1,4-diol
X01
X01
表記:3-(4-amino-1,3,5-triazin-2-yl)-4-hydroxybenzonitrile
組成式:C10 H7 N5 O
SMILES:N#Cc1cc(c(O)cc1)c2ncnc(n2)N
InChi:InChI=1S/C10H7N5O/c11-4-6-1-2-8(16)7(3-6)9-13-5-14-10(12)15-9/h1-3,5,16H,(H2,12,13,14,15)
定義日:2011-02-08
最終更新日:2012-08-03
識別子（ID）:3-(4-amino-1,3,5-triazin-2-yl)-4-hydroxybenzonitrile

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件を2024-07-10に公開中

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