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AM5
AM5
表記:4-methyl-N~3~-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-5-yl)-N~1~-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
組成式:C31 H30 F3 N7 O2
SMILES:FC(F)(F)c1cccc(c1)NC(=O)c2cc(c(cc2)C)C(=O)Nc3cnc(nc3)Nc4ccc(cc4)N5CCN(C)CC5
InChi:InChI=1S/C31H30F3N7O2/c1-20-6-7-21(28(42)37-24-5-3-4-22(17-24)31(32,33)34)16-27(20)29(43)38-25-18-35-30(36-19-25)39-23-8-10-26(11-9-23)41-14-12-40(2)13-15-41/h3-11,16-19H,12-15H2,1-2H3,(H,37,42)(H,38,43)(H,35,36,39)
定義日:2008-01-21
最終更新日:2011-06-04
識別子（ID）:4-methyl-N~3~-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-5-yl)-N~1~-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
AMS
AMS
表記:3-MERCURI-4-AMINOBENZENESULFONAMIDE
組成式:C6 H7 Hg N2 O2 S
SMILES:O=S(=O)(c1cc([Hg])c(N)cc1)N
InChi:InChI=1S/C6H7N2O2S.Hg/c7-5-1-3-6(4-2-5)11(8,9)10
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:(2-amino-5-sulfamoylphenyl)mercury
HAB
HAB
表記:2-((4'-HYDROXYPHENYL)-AZO)BENZOIC ACID
組成式:C13 H10 N2 O3
SMILES:O=C(O)c2ccccc2/N=N/c1ccc(O)cc1
InChi:InChI=1S/C13H10N2O3/c16-10-7-5-9(6-8-10)14-15-12-4-2-1-3-11(12)13(17)18/h1-8,16H,(H,17,18)/b15-14+
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:2-[(E)-(4-hydroxyphenyl)diazenyl]benzoic acid
HDN
HDN
表記:METHYLHYDRAZINE
組成式:C H4 N2
SMILES:[N@H]=NC
InChi:InChI=1S/CH4N2/c1-3-2/h2H,1H3/b3-2-
定義日:1999-08-23
最終更新日:2011-06-04
識別子（ID）:(Z)-methyldiazene
HDT
HDT
表記:4-[(4-IMIDAZO[1,2-A]PYRIDIN-3-YLPYRIMIDIN-2-YL)AMINO]BENZENESULFONAMIDE
組成式:C17 H14 N6 O2 S
SMILES:O=S(=O)(N)c1ccc(cc1)Nc2nccc(n2)c3cnc4ccccn34
InChi:InChI=1S/C17H14N6O2S/c18-26(24,25)13-6-4-12(5-7-13)21-17-19-9-8-14(22-17)15-11-20-16-3-1-2-10-23(15)16/h1-11H,(H2,18,24,25)(H,19,21,22)
定義日:2003-06-24
最終更新日:2011-06-04
識別子（ID）:4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide
HFB
HFB
表記:hexafluorobenzene
組成式:C6 F6
SMILES:Fc1c(F)c(F)c(F)c(F)c1F
InChi:InChI=1S/C6F6/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）:hexafluorobenzene
HFL
HFL
表記:5-(3,3-DIHYDROXYPROPENY)-3-METHOXY-BENZENE-1,2-DIOL
組成式:C10 H12 O5
SMILES:O(c1cc(cc(O)c1O)/C=C/C(O)O)C
InChi:InChI=1S/C10H12O5/c1-15-8-5-6(2-3-9(12)13)4-7(11)10(8)14/h2-5,9,11-14H,1H3/b3-2+
定義日:2002-02-12
最終更新日:2011-06-04
識別子（ID）:5-[(1E)-3,3-dihydroxyprop-1-en-1-yl]-3-methoxybenzene-1,2-diol
HI0
HI0
表記:(R)-N-(7-(4-((4'-chlorobiphenyl-2-yl)methyl)piperazin-1-yl)quinazolin-4-yl)-4-(4-(dimethylamino)-1-(phenylthio)butan-2-ylamino)-3-nitrobenzenesulfonamide
組成式:C43 H45 Cl N8 O4 S2
SMILES:[O-][N+](=O)c2cc(ccc2NC(CCN(C)C)CSc1ccccc1)S(=O)(=O)Nc7ncnc6cc(N5CCN(Cc4c(c3ccc(Cl)cc3)cccc4)CC5)ccc67
InChi:InChI=1S/C43H45ClN8O4S2/c1-49(2)21-20-34(29-57-36-9-4-3-5-10-36)47-40-19-17-37(27-42(40)52(53)54)58(55,56)48-43-39-18-16-35(26-41(39)45-30-46-43)51-24-22-50(23-25-51)28-32-8-6-7-11-38(32)31-12-14-33(44)15-13-31/h3-19,26-27,30,34,47H,20-25,28-29H2,1-2H3,(H,45,46,48)/t34-/m1/s1
定義日:2011-02-18
最終更新日:2011-06-04
識別子（ID）:N-(7-{4-[(4'-chlorobiphenyl-2-yl)methyl]piperazin-1-yl}quinazolin-4-yl)-4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrobenzenesulfonamide
2IB
2IB
表記:2-IODOBENZYL GROUP
組成式:C7 H7 I
SMILES:Ic1ccccc1C
InChi:InChI=1S/C7H7I/c1-6-4-2-3-5-7(6)8/h2-5H,1H3
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:1-iodo-2-methylbenzene
2NQ
2NQ
表記:N-{2-chloro-5-[4-(morpholin-4-yl)quinolin-6-yl]pyridin-3-yl}-4-fluorobenzenesulfonamide
組成式:C24 H20 Cl F N4 O3 S
SMILES:Fc1ccc(cc1)S(=O)(=O)Nc2cc(cnc2Cl)c4cc3c(ccnc3cc4)N5CCOCC5
InChi:InChI=1S/C24H20ClFN4O3S/c25-24-22(29-34(31,32)19-4-2-18(26)3-5-19)14-17(15-28-24)16-1-6-21-20(13-16)23(7-8-27-21)30-9-11-33-12-10-30/h1-8,13-15,29H,9-12H2
定義日:2011-05-19
最終更新日:2011-06-04
識別子（ID）:N-{2-chloro-5-[4-(morpholin-4-yl)quinolin-6-yl]pyridin-3-yl}-4-fluorobenzenesulfonamide
HMK
HMK
表記:(6AR,12AR)-6H-[1,3]DIOXOLO[5,6][1]BENZOFURO[3,2-C]CHROMENE-3,6A(12AH)-DIOL
組成式:C16 H12 O6
SMILES:O3c2cc1OCOc1cc2C4(O)C3c5ccc(O)cc5OC4
InChi:InChI=1S/C16H12O6/c17-8-1-2-9-11(3-8)19-6-16(18)10-4-13-14(21-7-20-13)5-12(10)22-15(9)16/h1-5,15,17-18H,6-7H2/t15-,16+/m1/s1
定義日:2005-04-27
最終更新日:2011-06-04
識別子（ID）:(6aR,12aR)-6H-[1,3]dioxolo[5,6][1]benzofuro[3,2-c]chromene-3,6a(12aH)-diol
HV7
HV7
表記:1-METHYLAMINE-2-HYDROXY-4-METHOXY-BENZENE
組成式:C8 H11 N O2
SMILES:Oc1cc(OC)ccc1CN
InChi:InChI=1S/C8H11NO2/c1-11-7-3-2-6(5-9)8(10)4-7/h2-4,10H,5,9H2,1H3
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:2-(aminomethyl)-5-methoxyphenol
FRP
FRP
表記:N1-((2S,3S,5R)-3-AMINO-6-(4-FLUOROPHENYLAMINO)-5-METHYL-6-OXO-1-PHENYLHEXAN-2-YL)-N3,N3-DIPROPYLISOPHTHALAMIDE
組成式:C33 H41 F N4 O3
SMILES:Fc3ccc(NC(=O)C(C)CC(N)C(NC(=O)c1cccc(C(=O)N(CCC)CCC)c1)Cc2ccccc2)cc3
InChi:InChI=1S/C33H41FN4O3/c1-4-18-38(19-5-2)33(41)26-13-9-12-25(22-26)32(40)37-30(21-24-10-7-6-8-11-24)29(35)20-23(3)31(39)36-28-16-14-27(34)15-17-28/h6-17,22-23,29-30H,4-5,18-21,35H2,1-3H3,(H,36,39)(H,37,40)/t23-,29+,30+/m1/s1
定義日:2005-12-30
最終更新日:2011-06-04
識別子（ID）:N'-{(1S,2S,4R)-2-amino-1-benzyl-5-[(4-fluorophenyl)amino]-4-methyl-5-oxopentyl}-N,N-dipropylbenzene-1,3-dicarboxamide
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
ESH
ESH
表記:4- [(1R,3AS,4R,8AS,8BR)- 2- (4-CHLOROBENZYL)- 1- ISOPROPYL- 3- OXODECAHYDROPYRROLO[3,4- A]PYRROLIZIN- 4- YL]BENZENECARBOXIMIDAMIDE
組成式:C26 H31 Cl N4 O
SMILES:Clc1ccc(cc1)CN2C(=O)C5C(C2C(C)C)C3N(CCC3)C5c4ccc(C(=[N@H])N)cc4
InChi:InChI=1S/C26H31ClN4O/c1-15(2)23-21-20-4-3-13-30(20)24(17-7-9-18(10-8-17)25(28)29)22(21)26(32)31(23)14-16-5-11-19(27)12-6-16/h5-12,15,20-24H,3-4,13-14H2,1-2H3,(H3,28,29)/t20-,21-,22-,23+,24-/m0/s1
定義日:2006-02-17
最終更新日:2011-06-04
識別子（ID）:4-[(1R,3aS,4R,8aS,8bR)-2-(4-chlorobenzyl)-1-(1-methylethyl)-3-oxodecahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzenecarboximidamide
ETP
ETP
表記:3-(4-BENZENESULFONYL-THIOPHENE-2-SULFONYLAMINO)-PHENYLBORONIC ACID
組成式:C16 H14 B N O6 S3
SMILES:O=S(=O)(c1csc(c1)S(=O)(=O)Nc2cccc(B(O)O)c2)c3ccccc3
InChi:InChI=1S/C16H14BNO6S3/c19-17(20)12-5-4-6-13(9-12)18-27(23,24)16-10-15(11-25-16)26(21,22)14-7-2-1-3-8-14/h1-11,18-20H
定義日:2000-12-07
最終更新日:2011-06-04
識別子（ID）:[3-({[4-(phenylsulfonyl)thiophen-2-yl]sulfonyl}amino)phenyl]boronic acid
EYK
EYK
表記:2-tert-butylbenzene-1,4-diol
組成式:C10 H14 O2
SMILES:Oc1ccc(O)cc1C(C)(C)C
InChi:InChI=1S/C10H14O2/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6,11-12H,1-3H3
定義日:2008-10-30
最終更新日:2011-06-04
識別子（ID）:2-tert-butylbenzene-1,4-diol
F2I
F2I
表記:N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-3-[(3-IODOBENZYL)AMINO]PROPYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE
組成式:C32 H38 F2 I N3 O3
SMILES:Ic1cc(ccc1)CNCC(O)C(NC(=O)c2cc(cc(C(=O)N(CCC)CCC)c2)C)Cc3cc(F)cc(F)c3
InChi:InChI=1S/C32H38F2IN3O3/c1-4-9-38(10-5-2)32(41)25-12-21(3)11-24(17-25)31(40)37-29(16-23-13-26(33)18-27(34)14-23)30(39)20-36-19-22-7-6-8-28(35)15-22/h6-8,11-15,17-18,29-30,36,39H,4-5,9-10,16,19-20H2,1-3H3,(H,37,40)/t29-,30+/m0/s1
定義日:2006-10-17
最終更新日:2011-06-04
識別子（ID）:N'-{(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-[(3-iodobenzyl)amino]propyl}-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide
F3B
F3B
表記:1,3,5-trichloro-2,4,6-trifluorobenzene
組成式:C6 Cl3 F3
SMILES:Clc1c(F)c(Cl)c(F)c(Cl)c1F
InChi:InChI=1S/C6Cl3F3/c7-1-4(10)2(8)6(12)3(9)5(1)11
定義日:2008-07-16
最終更新日:2011-06-04
識別子（ID）:1,3,5-trichloro-2,4,6-trifluorobenzene
F5B
F5B
表記:1,2,3,4,5-pentafluorobenzene
組成式:C6 H F5
SMILES:Fc1cc(F)c(F)c(F)c1F
InChi:InChI=1S/C6HF5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H
定義日:2008-07-11
最終更新日:2011-06-04
識別子（ID）:1,2,3,4,5-pentafluorobenzene
I15
I15
表記:5-[(5-fluoro-3-methyl-1H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile
組成式:C16 H9 F N4 O
SMILES:N#Cc3cc(Oc1c(F)ccc2c1c(nn2)C)cc(C#N)c3
InChi:InChI=1S/C16H9FN4O/c1-9-15-14(21-20-9)3-2-13(17)16(15)22-12-5-10(7-18)4-11(6-12)8-19/h2-6H,1H3,(H,20,21)
定義日:2008-09-08
最終更新日:2011-06-04
識別子（ID）:5-[(5-fluoro-3-methyl-1H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile
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

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