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E97
E97
表記:[3-(4-{2'-[4-(3-DIMETHYLAMINO-PROPOXY)-PHENYL]-3H,3'H-[5,5']BIBENZOIMIDAZOLYL-2-YL}-PHENOXY)-PROPYL]-DIMETHYL-AMINE
組成式:C36 H40 N6 O2
SMILES:O(c1ccc(cc1)c6nc5ccc(c4ccc2c(nc(n2)c3ccc(OCCCN(C)C)cc3)c4)cc5n6)CCCN(C)C
InChi:InChI=1S/C36H40N6O2/c1-41(2)19-5-21-43-29-13-7-25(8-14-29)35-37-31-17-11-27(23-33(31)39-35)28-12-18-32-34(24-28)40-36(38-32)26-9-15-30(16-10-26)44-22-6-20-42(3)4/h7-18,23-24H,5-6,19-22H2,1-4H3,(H,37,39)(H,38,40)
定義日:2000-09-14
最終更新日:2011-06-04
識別子（ID）:3,3'-[1H,3'H-5,5'-bibenzimidazole-2,2'-diylbis(benzene-4,1-diyloxy)]bis(N,N-dimethylpropan-1-amine)
DMD
DMD
表記:5,6-DIMETHYLBENZIMIDAZOLE
組成式:C9 H10 N2
SMILES:n2c1cc(c(cc1nc2)C)C
InChi:InChI=1S/C9H10N2/c1-6-3-8-9(4-7(6)2)11-5-10-8/h3-5H,1-2H3,(H,10,11)
定義日:1999-09-16
最終更新日:2011-06-04
識別子（ID）:5,6-dimethyl-1H-benzimidazole
GIG
GIG
表記:METHYL (5-{4-[({[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-1H-BENZIMIDAZOL-2-YL)CARBAMATE
組成式:C23 H17 F4 N5 O4
SMILES:FC(F)(F)c1cc(c(F)cc1)NC(=O)Nc4ccc(Oc3ccc2c(nc(n2)NC(=O)OC)c3)cc4
InChi:InChI=1S/C23H17F4N5O4/c1-35-22(34)32-20-29-17-9-7-15(11-19(17)30-20)36-14-5-3-13(4-6-14)28-21(33)31-18-10-12(23(25,26)27)2-8-16(18)24/h2-11H,1H3,(H2,28,31,33)(H2,29,30,32,34)
定義日:2007-01-10
最終更新日:2011-06-04
識別子（ID）:methyl {5-[4-({[2-fluoro-5-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-1H-benzimidazol-2-yl}carbamate
H06
H06
表記:(E)-4-((2-nicotinoylhydrazono)methyl)benzimidamide
組成式:C14 H13 N5 O
SMILES:O=C(NN=Cc1ccc(C(=[N@H])N)cc1)c2cccnc2
InChi:InChI=1S/C14H13N5O/c15-13(16)11-5-3-10(4-6-11)8-18-19-14(20)12-2-1-7-17-9-12/h1-9H,(H3,15,16)(H,19,20)/b18-8+
定義日:2009-10-13
最終更新日:2011-06-04
識別子（ID）:4-{(E)-[2-(pyridin-3-ylcarbonyl)hydrazinylidene]methyl}benzenecarboximidamide
AFQ
AFQ
表記:6-amino-4-{2-[(cyclopentylmethyl)amino]ethyl}-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
組成式:C18 H25 N7 O
SMILES:O=C1c3c(N=C(N1)N)c(c2nc(NC)nc2c3)CCNCC4CCCC4
InChi:InChI=1S/C18H25N7O/c1-20-18-22-13-8-12-14(23-17(19)25-16(12)26)11(15(13)24-18)6-7-21-9-10-4-2-3-5-10/h8,10,21H,2-7,9H2,1H3,(H2,20,22,24)(H3,19,23,25,26)
定義日:2009-03-02
最終更新日:2011-06-04
識別子（ID）:6-amino-4-{2-[(cyclopentylmethyl)amino]ethyl}-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
AGX
AGX
表記:(1S)-1-(1H-benzimidazol-2-yl)ethyl (3,4-dichlorophenyl)carbamate
組成式:C16 H13 Cl2 N3 O2
SMILES:Clc1ccc(cc1Cl)NC(=O)OC(c3nc2ccccc2n3)C
InChi:InChI=1S/C16H13Cl2N3O2/c1-9(15-20-13-4-2-3-5-14(13)21-15)23-16(22)19-10-6-7-11(17)12(18)8-10/h2-9H,1H3,(H,19,22)(H,20,21)/t9-/m0/s1
定義日:2009-09-18
最終更新日:2011-06-04
識別子（ID）:(1S)-1-(1H-benzimidazol-2-yl)ethyl (3,4-dichlorophenyl)carbamate
AM0
AM0
表記:N-phenyl-1-{4-[(3,4,5-trimethoxyphenyl)amino]-1,3,5-triazin-2-yl}-1H-benzimidazol-2-amine
組成式:C25 H23 N7 O3
SMILES:O(c1cc(cc(OC)c1OC)Nc2ncnc(n2)n3c5ccccc5nc3Nc4ccccc4)C
InChi:InChI=1S/C25H23N7O3/c1-33-20-13-17(14-21(34-2)22(20)35-3)28-23-26-15-27-24(31-23)32-19-12-8-7-11-18(19)30-25(32)29-16-9-5-4-6-10-16/h4-15H,1-3H3,(H,29,30)(H,26,27,28,31)
定義日:2008-01-21
最終更新日:2011-06-04
識別子（ID）:N-phenyl-1-{4-[(3,4,5-trimethoxyphenyl)amino]-1,3,5-triazin-2-yl}-1H-benzimidazol-2-amine
AM9
AM9
表記:6-(2,6-dimethylphenyl)-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6H)-one
組成式:C31 H30 N8 O
SMILES:O=C3N(c1c(cccc1C)C)c6nc7ccccc7n6c2nc(ncc23)Nc4ccc(cc4)N5CCN(C)CC5
InChi:InChI=1S/C31H30N8O/c1-20-7-6-8-21(2)27(20)39-29(40)24-19-32-30(35-28(24)38-26-10-5-4-9-25(26)34-31(38)39)33-22-11-13-23(14-12-22)37-17-15-36(3)16-18-37/h4-14,19H,15-18H2,1-3H3,(H,32,33,35)
定義日:2008-01-21
最終更新日:2011-06-04
識別子（ID）:6-(2,6-dimethylphenyl)-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6H)-one
AMC
AMC
表記:AMINOMETHYLCYCLOHEXANE
組成式:C7 H16 N
SMILES:[NH3+]CC1CCCCC1
InChi:InChI=1S/C7H15N/c8-6-7-4-2-1-3-5-7/h7H,1-6,8H2/p+1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:cyclohexylmethanaminium
APJ
APJ
表記:N~2~-1H-benzimidazol-5-yl-N~4~-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine
組成式:C17 H16 N8
SMILES:n2c1cc(ccc1nc2)Nc5nc(Nc3cc(nn3)C4CC4)ccn5
InChi:InChI=1S/C17H16N8/c1-2-10(1)13-8-16(25-24-13)22-15-5-6-18-17(23-15)21-11-3-4-12-14(7-11)20-9-19-12/h3-10H,1-2H2,(H,19,20)(H3,18,21,22,23,24,25)
定義日:2008-12-02
最終更新日:2011-06-04
識別子（ID）:N~2~-1H-benzimidazol-5-yl-N~4~-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine
HAN
HAN
表記:2-AMINO-5,6-DIMETHYL-BENZIMIDAZOLE-1-PENTANOIC ACID
組成式:C14 H19 N3 O2
SMILES:O=C(O)CCCCn1c2cc(c(cc2nc1N)C)C
InChi:InChI=1S/C14H19N3O2/c1-9-7-11-12(8-10(9)2)17(14(15)16-11)6-4-3-5-13(18)19/h7-8H,3-6H2,1-2H3,(H2,15,16)(H,18,19)
定義日:2004-12-30
最終更新日:2011-06-04
識別子（ID）:5-(2-amino-5,6-dimethyl-1H-benzimidazol-1-yl)pentanoic acid
HCB
HCB
表記:5-HYDROXYBENZIMIDAZOLYLCOBAMIDE
組成式:C60 H84 Co N13 O15 P
SMILES:C[CH](CNC(=O)CC[C]1(C)[CH](CC(N)=O)[CH]2N3C1=C(C)C4=[N+]5C(=CC6=[N+]7C(=C(C)C8=[N+]([C]2(C)[C](C)(CC(N)=O)[CH]8CCC(N)=O)[Co]357)[C](C)(CC(N)=O)[CH]6CCC(N)=O)C(C)(C)[CH]4CCC(N)=O)O[P]([O-])(=O)O[CH]9[CH](O)[CH](O[CH]9CO)n%10cnc%11cc(O)ccc%10%11
InChi:InChI=1S/C60H86N13O15P.Co/c1-28(87-89(84,85)88-51-39(26-74)86-55(50(51)83)73-27-68-37-20-31(75)10-14-38(37)73)25-67-47(82)18-19-57(6)35(21-44(64)79)54-60(9)59(8,24-46(66)81)34(13-17-43(63)78)49(72-60)30(3)53-58(7,23-45(65)80)32(11-15-41(61)76)36(69-53)22-40-56(4,5)33(12-16-42(62)77)48(70-40)29(2)52(57)71-54
定義日:2004-09-28
最終更新日:2011-06-04
2MQ
2MQ
表記:6-amino-4-(2-aminoethyl)-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
組成式:C12 H15 N7 O
SMILES:O=C3NC(=Nc2c(c1nc(nc1cc23)NC)CCN)N
InChi:InChI=1S/C12H15N7O/c1-15-12-16-7-4-6-8(17-11(14)19-10(6)20)5(2-3-13)9(7)18-12/h4H,2-3,13H2,1H3,(H2,15,16,18)(H3,14,17,19,20)
定義日:2009-03-02
最終更新日:2011-06-04
識別子（ID）:6-amino-4-(2-aminoethyl)-2-(methylamino)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
FRS
FRS
表記:1-[5-methyl-2-(trifluoromethyl)furan-3-yl]-3-[(2Z)-5-(2-{[6-(1H-1,2,4-triazol-3-ylamino)pyrimidin-4-yl]amino}ethyl)-1,3-thiazol-2(3H)-ylidene]urea
組成式:C18 H17 F3 N10 O2 S
SMILES:O=C(N=C1/SC(=CN1)CCNc3ncnc(Nc2ncnn2)c3)Nc4cc(oc4C(F)(F)F)C
InChi:InChI=1S/C18H17F3N10O2S/c1-9-4-11(14(33-9)18(19,20)21)28-16(32)30-17-23-6-10(34-17)2-3-22-12-5-13(25-7-24-12)29-15-26-8-27-31-15/h4-8H,2-3H2,1H3,(H2,23,28,30,32)(H3,22,24,25,26,27,29,31)
定義日:2008-06-10
最終更新日:2011-06-04
識別子（ID）:1-[5-methyl-2-(trifluoromethyl)furan-3-yl]-3-[(2Z)-5-(2-{[6-(1H-1,2,4-triazol-3-ylamino)pyrimidin-4-yl]amino}ethyl)-1,3-thiazol-2(3H)-ylidene]urea
ES0
ES0
表記:2-amino-1H-benzimidazol-7-ol
組成式:C7 H7 N3 O
SMILES:Nc1[nH]c2c(O)cccc2n1
InChi:InChI=1S/C7H7N3O/c8-7-9-4-2-1-3-5(11)6(4)10-7/h1-3,11H,(H3,8,9,10)
定義日:2009-12-04
最終更新日:2011-06-04
識別子（ID）:2-azanyl-3H-benzimidazol-4-ol
ES7
ES7
表記:1-methyl-1H-benzimidazol-2-amine
組成式:C8 H9 N3
SMILES:Cn1c(N)nc2ccccc12
InChi:InChI=1S/C8H9N3/c1-11-7-5-3-2-4-6(7)10-8(11)9/h2-5H,1H3,(H2,9,10)
定義日:2009-12-04
最終更新日:2011-06-04
識別子（ID）:1-methylbenzimidazol-2-amine
ES9
ES9
表記:5-chloro-1H-benzimidazole
組成式:C7 H5 Cl N2
SMILES:Clc1ccc2[nH]cnc2c1
InChi:InChI=1S/C7H5ClN2/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H,(H,9,10)
定義日:2009-12-04
最終更新日:2011-06-04
識別子（ID）:5-chloro-1H-benzimidazole
ET2
ET2
表記:6-fluoro-1H-benzimidazol-2-amine
組成式:C7 H6 F N3
SMILES:Nc1[nH]c2cc(F)ccc2n1
InChi:InChI=1S/C7H6FN3/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H3,9,10,11)
定義日:2009-12-04
最終更新日:2011-06-04
識別子（ID）:6-fluoro-1H-benzimidazol-2-amine
EV3
EV3
表記:3-(2-amino-5-chloro-1H-benzimidazol-1-yl)propan-1-ol
組成式:C10 H12 Cl N3 O
SMILES:Clc1cc2nc(N)n(c2cc1)CCCO
InChi:InChI=1S/C10H12ClN3O/c11-7-2-3-9-8(6-7)13-10(12)14(9)4-1-5-15/h2-3,6,15H,1,4-5H2,(H2,12,13)
定義日:2010-06-18
最終更新日:2011-06-04
識別子（ID）:3-(2-amino-5-chloro-1H-benzimidazol-1-yl)propan-1-ol
EV4
EV4
表記:4-(2-amino-5-chloro-1H-benzimidazol-1-yl)-N-cyclohexyl-N-methylbutanamide
組成式:C18 H25 Cl N4 O
SMILES:Clc1cc2nc(N)n(c2cc1)CCCC(=O)N(C3CCCCC3)C
InChi:InChI=1S/C18H25ClN4O/c1-22(14-6-3-2-4-7-14)17(24)8-5-11-23-16-10-9-13(19)12-15(16)21-18(23)20/h9-10,12,14H,2-8,11H2,1H3,(H2,20,21)
定義日:2010-05-04
最終更新日:2011-06-04
識別子（ID）:4-(2-amino-5-chloro-1H-benzimidazol-1-yl)-N-cyclohexyl-N-methylbutanamide
EV5
EV5
表記:(3S)-3-(2-amino-5-chloro-1H-benzimidazol-1-yl)-N-(cyclohexylmethyl)pentanamide
組成式:C19 H27 Cl N4 O
SMILES:O=C(NCC1CCCCC1)CC(n2c3ccc(Cl)cc3nc2N)CC
InChi:InChI=1S/C19H27ClN4O/c1-2-15(11-18(25)22-12-13-6-4-3-5-7-13)24-17-9-8-14(20)10-16(17)23-19(24)21/h8-10,13,15H,2-7,11-12H2,1H3,(H2,21,23)(H,22,25)/t15-/m0/s1
定義日:2010-05-04
最終更新日:2011-06-04
識別子（ID）:(3S)-3-(2-amino-5-chloro-1H-benzimidazol-1-yl)-N-(cyclohexylmethyl)pentanamide
EZR
EZR
表記:3-methoxy-4-{3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl}aniline
組成式:C26 H27 N7 O
SMILES:O(c1cc(N)ccc1c2cc3c(cc2)c(nn3)c6nc5c(N4CCN(C)CC4)cccc5n6)C
InChi:InChI=1S/C26H27N7O/c1-32-10-12-33(13-11-32)22-5-3-4-20-25(22)29-26(28-20)24-19-8-6-16(14-21(19)30-31-24)18-9-7-17(27)15-23(18)34-2/h3-9,14-15H,10-13,27H2,1-2H3,(H,28,29)(H,30,31)
定義日:2008-10-24
最終更新日:2011-06-04
識別子（ID）:3-methoxy-4-{3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl}aniline
EZV
EZV
表記:4-{3-[7-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl}aniline
組成式:C25 H25 N7
SMILES:n3nc2cc(c1ccc(N)cc1)ccc2c3c6nc5c(c(N4CCN(C)CC4)ccc5)n6
InChi:InChI=1S/C25H25N7/c1-31-11-13-32(14-12-31)22-4-2-3-20-24(22)28-25(27-20)23-19-10-7-17(15-21(19)29-30-23)16-5-8-18(26)9-6-16/h2-10,15H,11-14,26H2,1H3,(H,27,28)(H,29,30)
定義日:2008-11-04
最終更新日:2011-06-04
識別子（ID）:4-{3-[7-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl}aniline
F32
F32
表記:(5S)-5-{4-[(2S)-2-(1H-BENZIMIDAZOL-2-YL)-2-(1,3-BENZOTHIAZOL-2-YLAMINO)ETHYL]PHENYL}ISOTHIAZOLIDIN-3-ONE 1,1-DIOXIDE
組成式:C25 H21 N5 O3 S2
SMILES:O=C6NS(=O)(=O)C(c1ccc(cc1)CC(c2nc3ccccc3n2)Nc4nc5ccccc5s4)C6
InChi:InChI=1S/C25H21N5O3S2/c31-23-14-22(35(32,33)30-23)16-11-9-15(10-12-16)13-20(24-26-17-5-1-2-6-18(17)27-24)29-25-28-19-7-3-4-8-21(19)34-25/h1-12,20,22H,13-14H2,(H,26,27)(H,28,29)(H,30,31)/t20-,22-/m0/s1
定義日:2006-05-21
最終更新日:2011-06-04
識別子（ID）:(5S)-5-{4-[(2S)-2-(1H-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-ylamino)ethyl]phenyl}isothiazolidin-3-one 1,1-dioxide
IA
IA
表記:2'-(3-IODOPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE
組成式:C25 H24 I N6
SMILES:Ic1cccc(c1)c3nc2ccc(cc2n3)c6nc4c(cc(cc4)N5CC[NH+](CC5)C)n6
InChi:InChI=1S/C25H23IN6/c1-31-9-11-32(12-10-31)19-6-8-21-23(15-19)30-25(28-21)17-5-7-20-22(14-17)29-24(27-20)16-3-2-4-18(26)13-16/h2-8,13-15H,9-12H2,1H3,(H,27,29)(H,28,30)/p+1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:4-[2'-(3-iodophenyl)-1H,3'H-2,5'-bibenzimidazol-6-yl]-1-methylpiperazin-1-ium

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