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FRT
FRT
表記:N-(2-METHOXYETHYL)-4-({4-[2-METHYL-1-(1-METHYLETHYL)-1H-IMIDAZOL-5-YL]PYRIMIDIN-2-YL}AMINO)BENZENESULFONAMIDE
組成式:C20 H26 N6 O3 S
SMILES:O=S(=O)(NCCOC)c1ccc(cc1)Nc2nccc(n2)c3cnc(n3C(C)C)C
InChi:InChI=1S/C20H26N6O3S/c1-14(2)26-15(3)22-13-19(26)18-9-10-21-20(25-18)24-16-5-7-17(8-6-16)30(27,28)23-11-12-29-4/h5-10,13-14,23H,11-12H2,1-4H3,(H,21,24,25)
定義日:2008-08-08
最終更新日:2011-06-04
識別子（ID）:N-(2-methoxyethyl)-4-({4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl]pyrimidin-2-yl}amino)benzenesulfonamide
FRV
FRV
表記:4-{[4-(1-CYCLOPROPYL-2-METHYL-1H-IMIDAZOL-5-YL)PYRIMIDIN-2-YL]AMINO}-N-METHYLBENZENESULFONAMIDE
組成式:C18 H20 N6 O2 S
SMILES:O=S(=O)(NC)c1ccc(cc1)Nc2nccc(n2)c3cnc(n3C4CC4)C
InChi:InChI=1S/C18H20N6O2S/c1-12-21-11-17(24(12)14-5-6-14)16-9-10-20-18(23-16)22-13-3-7-15(8-4-13)27(25,26)19-2/h3-4,7-11,14,19H,5-6H2,1-2H3,(H,20,22,23)
定義日:2008-08-08
最終更新日:2011-06-04
識別子（ID）:4-{[4-(1-cyclopropyl-2-methyl-1H-imidazol-5-yl)pyrimidin-2-yl]amino}-N-methylbenzenesulfonamide
35C
35C
表記:3,5-dichlorobenzene-1,2-diol
組成式:C6 H4 Cl2 O2
SMILES:Clc1cc(Cl)cc(O)c1O
InChi:InChI=1S/C6H4Cl2O2/c7-3-1-4(8)6(10)5(9)2-3/h1-2,9-10H
定義日:2009-07-09
最終更新日:2011-06-04
識別子（ID）:3,5-dichlorobenzene-1,2-diol
367
367
表記:3-HYDROXYPROPYL 3-[({7-[AMINO(IMINO)METHYL]-1-NAPHTHYL}AMINO)CARBONYL]BENZENESULFONATE
組成式:C21 H21 N3 O5 S
SMILES:O=S(=O)(OCCCO)c1cc(ccc1)C(=O)Nc3c2cc(C(=[N@H])N)ccc2ccc3
InChi:InChI=1S/C21H21N3O5S/c22-20(23)15-9-8-14-4-2-7-19(18(14)13-15)24-21(26)16-5-1-6-17(12-16)30(27,28)29-11-3-10-25/h1-2,4-9,12-13,25H,3,10-11H2,(H3,22,23)(H,24,26)
定義日:2005-06-21
最終更新日:2011-06-04
識別子（ID）:3-hydroxypropyl 3-[(7-carbamimidoylnaphthalen-1-yl)carbamoyl]benzenesulfonate
G0G
G0G
表記:N,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(N-BENZYLBENZENESULFONAMIDE)
組成式:C30 H31 N3 O4 S2
SMILES:O=S(=O)(N(C3C(N(Cc1ccccc1)S(=O)(=O)c2ccccc2)CNC3)Cc4ccccc4)c5ccccc5
InChi:InChI=1S/C30H31N3O4S2/c34-38(35,27-17-9-3-10-18-27)32(23-25-13-5-1-6-14-25)29-21-31-22-30(29)33(24-26-15-7-2-8-16-26)39(36,37)28-19-11-4-12-20-28/h1-20,29-31H,21-24H2/t29-,30-/m0/s1
定義日:2007-05-08
最終更新日:2011-06-04
識別子（ID）:N,N'-(3S,4S)-pyrrolidine-3,4-diylbis(N-benzylbenzenesulfonamide)
LJG
LJG
表記:N,N'-(iminodiethane-2,1-diyl)bis[4-amino-N-(2-methylpropyl)benzenesulfonamide]
組成式:C24 H39 N5 O4 S2
SMILES:O=S(=O)(c1ccc(N)cc1)N(CC(C)C)CCNCCN(CC(C)C)S(=O)(=O)c2ccc(N)cc2
InChi:InChI=1S/C24H39N5O4S2/c1-19(2)17-28(34(30,31)23-9-5-21(25)6-10-23)15-13-27-14-16-29(18-20(3)4)35(32,33)24-11-7-22(26)8-12-24/h5-12,19-20,27H,13-18,25-26H2,1-4H3
定義日:2007-11-29
最終更新日:2011-06-04
識別子（ID）:N,N'-(iminodiethane-2,1-diyl)bis[4-amino-N-(2-methylpropyl)benzenesulfonamide]
LJH
LJH
表記:N,N'-(iminodiethane-2,1-diyl)bis(4-amino-N-benzylbenzenesulfonamide)
組成式:C30 H35 N5 O4 S2
SMILES:O=S(=O)(c1ccc(N)cc1)N(Cc2ccccc2)CCNCCN(Cc3ccccc3)S(=O)(=O)c4ccc(N)cc4
InChi:InChI=1S/C30H35N5O4S2/c31-27-11-15-29(16-12-27)40(36,37)34(23-25-7-3-1-4-8-25)21-19-33-20-22-35(24-26-9-5-2-6-10-26)41(38,39)30-17-13-28(32)14-18-30/h1-18,33H,19-24,31-32H2
定義日:2007-11-29
最終更新日:2011-06-04
識別子（ID）:N,N'-(iminodiethane-2,1-diyl)bis(4-amino-N-benzylbenzenesulfonamide)
LJZ
LJZ
表記:4,4'-{cyclohexa-2,5-diene-1,4-diylidenebis[(E)methylylidene(E)diazene-2,1-diyl]}bis[N-(2-chlorophenyl)-4-oxobutanamide]
組成式:C28 H24 Cl2 N6 O4
SMILES:Clc1ccccc1NC(=O)CCC(=O)/N=N/C=C3C=C/C(=CN=NC(=O)CCC(=O)Nc2ccccc2Cl)C=C3
InChi:InChI=1S/C28H24Cl2N6O4/c29-21-5-1-3-7-23(21)33-25(37)13-15-27(39)35-31-17-19-9-11-20(12-10-19)18-32-36-28(40)16-14-26(38)34-24-8-4-2-6-22(24)30/h1-12,17-18H,13-16H2,(H,33,37)(H,34,38)/b19-17-,20-18-,35-31+,36-32+
定義日:2010-04-21
最終更新日:2011-06-04
識別子（ID）:4,4'-{cyclohexa-2,5-diene-1,4-diylidenebis[(E)methylylidene(E)diazene-2,1-diyl]}bis[N-(2-chlorophenyl)-4-oxobutanamide]
LS1
LS1
表記:N-METHYL-4-{[(2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE
組成式:C16 H15 N3 O3 S
SMILES:O=S(=O)(NC)c1ccc(cc1)N/C=C3/c2ccccc2NC3=O
InChi:InChI=1S/C16H15N3O3S/c1-17-23(21,22)12-8-6-11(7-9-12)18-10-14-13-4-2-3-5-15(13)19-16(14)20/h2-10,17-18H,1H3,(H,19,20)/b14-10-
定義日:2001-11-19
最終更新日:2011-06-04
識別子（ID）:N-methyl-4-{[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]amino}benzenesulfonamide
LS4
LS4
表記:4-{[(2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]AMINO}-N-(1,3-THIAZOL-2-YL)BENZENESULFONAMIDE
組成式:C18 H14 N4 O3 S2
SMILES:O=S(=O)(Nc1nccs1)c4ccc(N/C=C3/c2ccccc2NC3=O)cc4
InChi:InChI=1S/C18H14N4O3S2/c23-17-15(14-3-1-2-4-16(14)21-17)11-20-12-5-7-13(8-6-12)27(24,25)22-18-19-9-10-26-18/h1-11,20H,(H,19,22)(H,21,23)/b15-11-
定義日:2001-11-19
最終更新日:2011-06-04
識別子（ID）:4-{[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]amino}-N-1,3-thiazol-2-ylbenzenesulfonamide
LS5
LS5
表記:3-{[4-([AMINO(IMINO)METHYL]AMINOSULFONYL)ANILINO]METHYLENE}-2-OXO-2,3-DIHYDRO-1H-INDOLE
組成式:C16 H15 N5 O3 S
SMILES:O=S(=O)(NC(=[N@H])N)c1ccc(cc1)N/C=C3/c2ccccc2NC3=O
InChi:InChI=1S/C16H15N5O3S/c17-16(18)21-25(23,24)11-7-5-10(6-8-11)19-9-13-12-3-1-2-4-14(12)20-15(13)22/h1-9,19H,(H,20,22)(H4,17,18,21)/b13-9-
定義日:2001-11-21
最終更新日:2011-06-04
識別子（ID）:N-carbamimidoyl-4-{[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]amino}benzenesulfonamide
LT1
LT1
表記:(3-chloropropyl)benzene
組成式:C9 H11 Cl
SMILES:ClCCCc1ccccc1
InChi:InChI=1S/C9H11Cl/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
定義日:2009-02-17
最終更新日:2011-06-04
識別子（ID）:(3-chloropropyl)benzene
I48
I48
表記:N-{3-METHYL-5-[2-(PYRIDIN-4-YLAMINO)-ETHOXY]-PHENYL}-BENZENESULFONAMIDE
組成式:C20 H22 N3 O3 S
SMILES:O=S(=O)(c1ccccc1)Nc3cc(cc(OCCNc2cc[nH+]cc2)c3)C
InChi:InChI=1S/C20H21N3O3S/c1-16-13-18(23-27(24,25)20-5-3-2-4-6-20)15-19(14-16)26-12-11-22-17-7-9-21-10-8-17/h2-10,13-15,23H,11-12H2,1H3,(H,21,22)/p+1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:4-[(2-{3-methyl-5-[(phenylsulfonyl)amino]phenoxy}ethyl)amino]pyridinium
I4B
I4B
表記:ISOBUTYLBENZENE
組成式:C10 H14
SMILES:c1ccccc1CC(C)C
InChi:InChI=1S/C10H14/c1-9(2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:(2-methylpropyl)benzene
I7A
I7A
表記:4,5-DICHLOROBENZENE-1,3-DISULFONAMIDE
組成式:C6 H6 Cl2 N2 O4 S2
SMILES:Clc1c(cc(cc1Cl)S(=O)(=O)N)S(=O)(=O)N
InChi:InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)
定義日:2007-05-02
最終更新日:2011-06-04
識別子（ID）:4,5-dichlorobenzene-1,3-disulfonamide
I7B
I7B
表記:4-AMINO-6-CHLOROBENZENE-1,3-DISULFONAMIDE
組成式:C6 H8 Cl N3 O4 S2
SMILES:O=S(=O)(c1cc(c(cc1Cl)N)S(=O)(=O)N)N
InChi:InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)
定義日:2007-05-02
最終更新日:2011-06-04
識別子（ID）:4-amino-6-chlorobenzene-1,3-disulfonamide
I7C
I7C
表記:4-AMINO-6-(TRIFLUOROMETHYL)BENZENE-1,3-DISULFONAMIDE
組成式:C7 H8 F3 N3 O4 S2
SMILES:O=S(=O)(c1cc(c(cc1N)C(F)(F)F)S(=O)(=O)N)N
InChi:InChI=1S/C7H8F3N3O4S2/c8-7(9,10)3-1-4(11)6(19(13,16)17)2-5(3)18(12,14)15/h1-2H,11H2,(H2,12,14,15)(H2,13,16,17)
定義日:2007-05-02
最終更新日:2011-06-04
識別子（ID）:4-amino-6-(trifluoromethyl)benzene-1,3-disulfonamide
IBF
IBF
表記:1,2,3,4,5-pentafluoro-6-iodobenzene
組成式:C6 F5 I
SMILES:Fc1c(F)c(F)c(F)c(I)c1F
InChi:InChI=1S/C6F5I/c7-1-2(8)4(10)6(12)5(11)3(1)9
定義日:2008-07-11
最終更新日:2011-06-04
識別子（ID）:1,2,3,4,5-pentafluoro-6-iodobenzene
IH1
IH1
表記:2-[2-(4-BROMO-BENZENESULFONYL)-ETHYL]-1-3-DIOXO-2,3,5,8-TETRAHYDRO-1H-[1,2,4]TRIAZOLO[1,2-A]PYRIDAZINE-5-CARBOXYLIC ACID(4-CARBAMIMIDOYL-CYCLOHEXYLMETHYL)-AMIDE
組成式:C23 H29 Br N6 O5 S
SMILES:Brc1ccc(cc1)S(=O)(=O)CCN2C(=O)N4N(C2=O)CC=CC4C(=O)NCC3CCC(C(=[N@H])N)CC3
InChi:InChI=1S/C23H29BrN6O5S/c24-17-7-9-18(10-8-17)36(34,35)13-12-28-22(32)29-11-1-2-19(30(29)23(28)33)21(31)27-14-15-3-5-16(6-4-15)20(25)26/h1-2,7-10,15-16,19H,3-6,11-14H2,(H3,25,26)(H,27,31)/t15-,16-,19-/m0/s1
定義日:1999-10-13
最終更新日:2011-06-04
識別子（ID）:(5S)-2-{2-[(4-bromophenyl)sulfonyl]ethyl}-N-[(trans-4-carbamimidoylcyclohexyl)methyl]-1,3-dioxo-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxamide
L85
L85
表記:4-[(E)-(4-hydroxyphenyl)diazenyl]benzenesulfonic acid
組成式:C12 H10 N2 O4 S
SMILES:O=S(=O)(O)c2ccc(/N=N/c1ccc(O)cc1)cc2
InChi:InChI=1S/C12H10N2O4S/c15-11-5-1-9(2-6-11)13-14-10-3-7-12(8-4-10)19(16,17)18/h1-8,15H,(H,16,17,18)/b14-13+
定義日:2011-01-10
最終更新日:2011-06-04
識別子（ID）:4-[(E)-(4-hydroxyphenyl)diazenyl]benzenesulfonic acid
107
107
表記:4-[(7-OXO-7H-THIAZOLO[5,4-E]INDOL-8-YLMETHYL)-AMINO]-N-PYRIDIN-2-YL-BENZENESULFONAMIDE
組成式:C21 H15 N5 O3 S2
SMILES:O=S(=O)(Nc1ncccc1)c2ccc(cc2)NCC=5C(=O)N=C4C=5c3scnc3C=C4
InChi:InChI=1S/C21H15N5O3S2/c27-21-15(19-16(25-21)8-9-17-20(19)30-12-24-17)11-23-13-4-6-14(7-5-13)31(28,29)26-18-3-1-2-10-22-18/h1-10,12,23H,11H2,(H,22,26)
定義日:2000-10-03
最終更新日:2011-06-04
識別子（ID）:4-{[(7-oxo-7H-[1,3]thiazolo[5,4-e]indol-8-yl)methyl]amino}-N-pyridin-2-ylbenzenesulfonamide
150
150
表記:4,5-DIMETHYL-1,2-PHENYLENEDIAMINE
組成式:C8 H12 N2
SMILES:Nc1cc(c(cc1N)C)C
InChi:InChI=1S/C8H12N2/c1-5-3-7(9)8(10)4-6(5)2/h3-4H,9-10H2,1-2H3
定義日:2002-03-19
最終更新日:2011-06-04
識別子（ID）:4,5-dimethylbenzene-1,2-diamine
160
160
表記:3-(3-{2-[(5-METHANESULFONYL-THIOPHENE-2-CARBONYL)-AMINO]-ETHYLDISULFANYLMETHYL}- BENZENESULFONYLAMINO)-4-OXO-PENTANOIC ACID
組成式:C20 H24 N2 O8 S5
SMILES:O=C(c1sc(cc1)S(=O)(=O)C)NCCSSCc2cccc(c2)S(=O)(=O)NC(C(=O)C)CC(=O)O
InChi:InChI=1S/C20H24N2O8S5/c1-13(23)16(11-18(24)25)22-35(29,30)15-5-3-4-14(10-15)12-32-31-9-8-21-20(26)17-6-7-19(33-17)34(2,27)28/h3-7,10,16,22H,8-9,11-12H2,1-2H3,(H,21,26)(H,24,25)/t16-/m0/s1
定義日:2003-01-21
最終更新日:2011-06-04
識別子（ID）:(3S)-3-({[3-({[2-({[5-(methylsulfonyl)thiophen-2-yl]carbonyl}amino)ethyl]disulfanyl}methyl)phenyl]sulfonyl}amino)-4-oxopentanoic acid
KBT
KBT
表記:3-{[3-butyl-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}-5-methylbenzonitrile
組成式:C20 H23 N3 O3
SMILES:CCCCN1C(=O)NC(=O)C(=C1C(=O)c2cc(C)cc(c2)C#N)C(C)C
InChi:InChI=1S/C20H23N3O3/c1-5-6-7-23-17(16(12(2)3)19(25)22-20(23)26)18(24)15-9-13(4)8-14(10-15)11-21/h8-10,12H,5-7H2,1-4H3,(H,22,25,26)
定義日:2010-01-15
最終更新日:2011-06-04
識別子（ID）:3-(3-butyl-2,6-dioxo-5-propan-2-yl-pyrimidin-4-yl)carbonyl-5-methyl-benzenecarbonitrile
KIB
KIB
表記:2,6-dimethoxybenzene-1,4-diol
組成式:C8 H10 O4
SMILES:O(c1cc(O)cc(OC)c1O)C
InChi:InChI=1S/C8H10O4/c1-11-6-3-5(9)4-7(12-2)8(6)10/h3-4,9-10H,1-2H3
定義日:2009-01-19
最終更新日:2011-06-04
識別子（ID）:2,6-dimethoxybenzene-1,4-diol

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