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T87
T87
Name:[(1-{2[(4-CARBAMIMIDOYL-PHENYLAMINO)-METHYL]-1-METHYL-1H-BENZOIMIDAZOL-5-YL}-CYCLOPROPYL)-PYRIDIN-2-YL-METHYLENEAMINOOXY]-ACETIC ACID ETHYL ESTER
Formula:C29 H31 N7 O3
SMILES:O=C(OCC)CON=C(c1ncccc1)C5(c4ccc2c(nc(n2C)CNc3ccc(C(=[N@H])N)cc3)c4)CC5
InChi:InChI=1S/C29H31N7O3/c1-3-38-26(37)18-39-35-27(22-6-4-5-15-32-22)29(13-14-29)20-9-12-24-23(16-20)34-25(36(24)2)17-33-21-10-7-19(8-11-21)28(30)31/h4-12,15-16,33H,3,13-14,17-18H2,1-2H3,(H3,30,31)/b35-27-
Definition date:2000-11-22
Last modified:2011-06-04
Identifier:ethyl ({[(1E)-[1-(2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)cyclopropyl](pyridin-2-yl)methylidene]amino}oxy)acetate
K8X
K8X
Name:4,5,6,7-tetraiodo-1H-benzimidazole
Formula:C7 H2 I4 N2
SMILES:Ic1c(I)c(I)c2nc[nH]c2c1I
InChi:InChI=1S/C7H2I4N2/c8-2-3(9)5(11)7-6(4(2)10)12-1-13-7/h1H,(H,12,13)
Definition date:2009-12-04
Last modified:2011-06-04
Identifier:4,5,6,7-tetraiodo-1H-benzimidazole
XLI
XLI
Name:N-acetyl-L-leucyl-N-[(4S,5S,7R)-8-(butylamino)-5-hydroxy-2,7-dimethyl-8-oxooctan-4-yl]-L-methioninamide
Formula:C27 H52 N4 O5 S
SMILES:O=C(NC(C(=O)NC(CC(C)C)C(O)CC(C(=O)NCCCC)C)CCSC)C(NC(=O)C)CC(C)C
InChi:InChI=1S/C27H52N4O5S/c1-9-10-12-28-25(34)19(6)16-24(33)22(14-17(2)3)31-26(35)21(11-13-37-8)30-27(36)23(15-18(4)5)29-20(7)32/h17-19,21-24,33H,9-16H2,1-8H3,(H,28,34)(H,29,32)(H,30,36)(H,31,35)/t19-,21+,22+,23+,24+/m1/s1
Definition date:2010-01-04
Last modified:2011-06-04
Identifier:N-acetyl-L-leucyl-N-[(4S,5S,7R)-8-(butylamino)-5-hydroxy-2,7-dimethyl-8-oxooctan-4-yl]-L-methioninamide
O04
O04
Name:(E)-4-((tetrahydro-2H-pyran-2-yloxyimino)methyl)benzimidamide
Formula:C13 H17 N3 O2
SMILES:N(/OC1OCCCC1)=Cc2ccc(C(=[N@H])N)cc2
InChi:InChI=1S/C13H17N3O2/c14-13(15)11-6-4-10(5-7-11)9-16-18-12-3-1-2-8-17-12/h4-7,9,12H,1-3,8H2,(H3,14,15)/b16-9+/t12-/m0/s1
Definition date:2009-10-08
Last modified:2011-06-04
Identifier:4-[(E)-{[(2S)-tetrahydro-2H-pyran-2-yloxy]imino}methyl]benzenecarboximidamide
O13
O13
Name:(E)-4-((1-methylpiperidin-3-yloxyimino)methyl)benzimidamide
Formula:C14 H20 N4 O
SMILES:N(/OC1CCCN(C)C1)=Cc2ccc(C(=[N@H])N)cc2
InChi:InChI=1S/C14H20N4O/c1-18-8-2-3-13(10-18)19-17-9-11-4-6-12(7-5-11)14(15)16/h4-7,9,13H,2-3,8,10H2,1H3,(H3,15,16)/b17-9+/t13-/m1/s1
Definition date:2009-10-08
Last modified:2011-06-04
Identifier:4-[(E)-({[(3R)-1-methylpiperidin-3-yl]oxy}imino)methyl]benzenecarboximidamide
O14
O14
Name:(E)-4-((1-methylpiperidin-4-yloxyimino)methyl)benzimidamide
Formula:C14 H20 N4 O
SMILES:N(/OC1CCN(C)CC1)=Cc2ccc(C(=[N@H])N)cc2
InChi:InChI=1S/C14H20N4O/c1-18-8-6-13(7-9-18)19-17-10-11-2-4-12(5-3-11)14(15)16/h2-5,10,13H,6-9H2,1H3,(H3,15,16)/b17-10+
Definition date:2009-10-08
Last modified:2011-06-04
Identifier:4-[(E)-{[(1-methylpiperidin-4-yl)oxy]imino}methyl]benzenecarboximidamide
ZS4
ZS4
Name:2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-1H-benzimidazole
Formula:C19 H21 F2 N7 O2
SMILES:FC(F)c2nc1ccccc1n2c3nc(nc(n3)N4CCOCC4)N5CCOCC5
InChi:InChI=1S/C19H21F2N7O2/c20-15(21)16-22-13-3-1-2-4-14(13)28(16)19-24-17(26-5-9-29-10-6-26)23-18(25-19)27-7-11-30-12-8-27/h1-4,15H,5-12H2
Definition date:2009-11-09
Last modified:2011-06-04
Identifier:2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-1H-benzimidazole
YPA
YPA
Name:(S)-3-(4-(2-CARBAZOL-9-YL-ETHOXY)-PHENYL)-2-ETHOXY-PROPIONIC ACID
Formula:C25 H25 N O4
SMILES:O=C(O)C(OCC)Cc4ccc(OCCn3c1ccccc1c2c3cccc2)cc4
InChi:InChI=1S/C25H25NO4/c1-2-29-24(25(27)28)17-18-11-13-19(14-12-18)30-16-15-26-22-9-5-3-7-20(22)21-8-4-6-10-23(21)26/h3-14,24H,2,15-17H2,1H3,(H,27,28)/t24-/m0/s1
Definition date:2001-12-27
Last modified:2011-06-04
Identifier:(2S)-3-{4-[2-(9H-carbazol-9-yl)ethoxy]phenyl}-2-ethoxypropanoic acid
XAE
XAE
Name:3-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-3H-IMIDAZO[4,5-G]QUINAZOLIN-8-AMINE
Formula:C14 H16 N5 O6 P
SMILES:O=P(O)(O)OCC4OC(n3cnc2cc1c(ncnc1cc23)N)CC4O
InChi:InChI=1S/C14H16N5O6P/c15-14-7-1-9-10(2-8(7)16-5-17-14)19(6-18-9)13-3-11(20)12(25-13)4-24-26(21,22)23/h1-2,5-6,11-13,20H,3-4H2,(H2,15,16,17)(H2,21,22,23)/t11-,12+,13+/m0/s1
Definition date:2006-09-26
Last modified:2011-06-04
Identifier:3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-3H-imidazo[4,5-g]quinazolin-8-amine
PBH
PBH
Name:(11aS)-7-methoxy-8-(3-{4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenoxy}propoxy)-1,2,3,10,11,11a-hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one
Formula:C34 H40 N6 O4
SMILES:COc1cc2C(=O)N3CCC[CH]3CNc2cc1OCCCOc4ccc(cc4)c5[nH]c6cc(ccc6n5)N7CCN(C)CC7
InChi:InChI=1S/C34H40N6O4/c1-38-13-15-39(16-14-38)24-8-11-28-30(19-24)37-33(36-28)23-6-9-26(10-7-23)43-17-4-18-44-32-21-29-27(20-31(32)42-2)34(41)40-12-3-5-25(40)22-35-29/h6-11,19-21,25,35H,3-5,12-18,22H2,1-2H3,(H,36,37)/t25-/m0/s1
Definition date:2010-02-24
Last modified:2011-06-04
Identifier:(6aS)-2-methoxy-3-[3-[4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenoxy]propoxy]-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
VGD
VGD
Name:6-chloro-1H-benzimidazol-2-amine
Formula:C7 H6 Cl N3
SMILES:Clc2cc1c(nc(n1)N)cc2
InChi:InChI=1S/C7H6ClN3/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H3,9,10,11)
Definition date:2009-03-23
Last modified:2011-06-04
Identifier:6-chloro-1H-benzimidazol-2-amine
VGF
VGF
Name:1-(3,4-DICHLOROBENZYL)-7-PHENYL-1H-BENZIMIDAZOL-2-AMINE
Formula:C20 H15 Cl2 N3
SMILES:Clc1ccc(cc1Cl)Cn2c3c(nc2N)cccc3c4ccccc4
InChi:InChI=1S/C20H15Cl2N3/c21-16-10-9-13(11-17(16)22)12-25-19-15(14-5-2-1-3-6-14)7-4-8-18(19)24-20(25)23/h1-11H,12H2,(H2,23,24)
Definition date:2009-03-20
Last modified:2011-06-04
Identifier:1-(3,4-dichlorobenzyl)-7-phenyl-1H-benzimidazol-2-amine
V12
V12
Name:5'-[(1H-BENZIMIDAZOL-2-YLACETYL)AMINO]-5'-DEOXYCYTIDINE
Formula:C18 H20 N6 O5
SMILES:O=C1N=C(N)C=CN1C2OC(C(O)C2O)CNC(=O)Cc3nc4ccccc4n3
InChi:InChI=1S/C18H20N6O5/c19-12-5-6-24(18(28)23-12)17-16(27)15(26)11(29-17)8-20-14(25)7-13-21-9-3-1-2-4-10(9)22-13/h1-6,11,15-17,26-27H,7-8H2,(H,20,25)(H,21,22)(H2,19,23,28)/t11-,15-,16-,17-/m1/s1
Definition date:2007-06-07
Last modified:2011-06-04
Identifier:5'-[(1H-benzimidazol-2-ylacetyl)amino]-5'-deoxycytidine
WCX
WCX
Name:4-{5-[(1-METHYLPIPERIDIN-4-YL)OXY]-1H-BENZIMIDAZOL-1-YL}-2-{(1R)-1-[2-(TRIFLUOROMETHYL)PHENYL]ETHOXY}BENZAMIDE
Formula:C29 H29 F3 N4 O3
SMILES:FC(F)(F)c1ccccc1C(Oc2c(C(=O)N)ccc(c2)n4c5ccc(OC3CCN(C)CC3)cc5nc4)C
InChi:InChI=1S/C29H29F3N4O3/c1-18(22-5-3-4-6-24(22)29(30,31)32)38-27-15-19(7-9-23(27)28(33)37)36-17-34-25-16-21(8-10-26(25)36)39-20-11-13-35(2)14-12-20/h3-10,15-18,20H,11-14H2,1-2H3,(H2,33,37)/t18-/m1/s1
Definition date:2010-08-05
Last modified:2011-06-04
Identifier:4-{5-[(1-methylpiperidin-4-yl)oxy]-1H-benzimidazol-1-yl}-2-{(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy}benzamide
V21
V21
Name:3-methylthiobenzimidazo[1,2-c][1,2,3]thiadiazol-7-sulfonamide
Formula:C9 H8 N4 O2 S3
SMILES:CSC1=[S]=Nn2c3cc(ccc3nc12)[S](N)(=O)=O
InChi:InChI=1S/C9H8N4O2S3/c1-16-9-8-11-6-3-2-5(18(10,14)15)4-7(6)13(8)12-17-9/h2-4H,1H3,(H2,10,14,15)
Definition date:2009-05-29
Last modified:2011-06-04
T12
T12
Name:1-(3-HYDROXYPROPYL)-2-[(3-NITROBENZOYL)AMINO]-1H-BENZIMIDAZOL-5-YL PIVALATE
Formula:C22 H24 N4 O6
SMILES:[O-][N+](=O)c1cccc(c1)C(=O)Nc3nc2cc(OC(=O)C(C)(C)C)ccc2n3CCCO
InChi:InChI=1S/C22H24N4O6/c1-22(2,3)20(29)32-16-8-9-18-17(13-16)23-21(25(18)10-5-11-27)24-19(28)14-6-4-7-15(12-14)26(30)31/h4,6-9,12-13,27H,5,10-11H2,1-3H3,(H,23,24,28)
Definition date:2006-11-07
Last modified:2011-06-04
Identifier:1-(3-hydroxypropyl)-2-{[(3-nitrophenyl)carbonyl]amino}-1H-benzimidazol-5-yl 2,2-dimethylpropanoate
RFZ
RFZ
Name:5,6-dichloro-1-beta-D-ribofuranosyl-1H-benzimidazole
Formula:C12 H12 Cl2 N2 O4
SMILES:Clc2cc1ncn(c1cc2Cl)C3OC(C(O)C3O)CO
InChi:InChI=1S/C12H12Cl2N2O4/c13-5-1-7-8(2-6(5)14)16(4-15-7)12-11(19)10(18)9(3-17)20-12/h1-2,4,9-12,17-19H,3H2/t9-,10-,11-,12-/m1/s1
Definition date:2007-10-19
Last modified:2011-06-04
Identifier:5,6-dichloro-1-beta-D-ribofuranosyl-1H-benzimidazole
OMK
OMK
Name:(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexyl-N-(2-methylphenyl)ethanamide
Formula:C28 H26 Cl F2 N3 O
SMILES:Clc5ccc(c2nc1cc(F)c(F)cc1n2C(C(=O)Nc3ccccc3C)C4CCCCC4)cc5
InChi:InChI=1S/C28H26ClF2N3O/c1-17-7-5-6-10-23(17)33-28(35)26(18-8-3-2-4-9-18)34-25-16-22(31)21(30)15-24(25)32-27(34)19-11-13-20(29)14-12-19/h5-7,10-16,18,26H,2-4,8-9H2,1H3,(H,33,35)/t26-/m0/s1
Definition date:2010-09-08
Last modified:2011-06-04
Identifier:(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexyl-N-(2-methylphenyl)ethanamide
OMM
OMM
Name:4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3-fluorobenzoic acid
Formula:C28 H23 Cl F3 N3 O3
SMILES:O=C(O)c1ccc(c(F)c1)NC(=O)C(n3c4cc(F)c(F)cc4nc3c2ccc(Cl)cc2)C5CCCCC5
InChi:InChI=1S/C28H23ClF3N3O3/c29-18-9-6-16(7-10-18)26-33-23-13-19(30)20(31)14-24(23)35(26)25(15-4-2-1-3-5-15)27(36)34-22-11-8-17(28(37)38)12-21(22)32/h6-15,25H,1-5H2,(H,34,36)(H,37,38)/t25-/m0/s1
Definition date:2010-09-08
Last modified:2011-06-04
Identifier:4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3-fluorobenzoic acid
OKH
OKH
Name:2-(4-chlorophenyl)-1-[(1S)-1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]-1H-benzimidazole-6-carboxylic acid
Formula:C28 H32 Cl N3 O3
SMILES:O=C(O)c2ccc3nc(c1ccc(Cl)cc1)n(c3c2)C(C(=O)NC4CCCCC4)C5CCCCC5
InChi:InChI=1S/C28H32ClN3O3/c29-21-14-11-19(12-15-21)26-31-23-16-13-20(28(34)35)17-24(23)32(26)25(18-7-3-1-4-8-18)27(33)30-22-9-5-2-6-10-22/h11-18,22,25H,1-10H2,(H,30,33)(H,34,35)/t25-/m0/s1
Definition date:2010-09-06
Last modified:2011-06-04
Identifier:2-(4-chlorophenyl)-1-[(1S)-1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]-1H-benzimidazole-6-carboxylic acid
OKI
OKI
Name:(2S)-2-[2-(4-chlorophenyl)-1H-benzimidazol-1-yl]-N,2-dicyclohexylethanamide
Formula:C27 H32 Cl N3 O
SMILES:Clc5ccc(c2nc1ccccc1n2C(C(=O)NC3CCCCC3)C4CCCCC4)cc5
InChi:InChI=1S/C27H32ClN3O/c28-21-17-15-20(16-18-21)26-30-23-13-7-8-14-24(23)31(26)25(19-9-3-1-4-10-19)27(32)29-22-11-5-2-6-12-22/h7-8,13-19,22,25H,1-6,9-12H2,(H,29,32)/t25-/m0/s1
Definition date:2010-09-06
Last modified:2011-06-04
Identifier:(2S)-2-[2-(4-chlorophenyl)-1H-benzimidazol-1-yl]-N,2-dicyclohexylethanamide
OLF
OLF
Name:4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3-methylbenzoic acid
Formula:C29 H26 Cl F2 N3 O3
SMILES:O=C(O)c1ccc(c(c1)C)NC(=O)C(n3c4cc(F)c(F)cc4nc3c2ccc(Cl)cc2)C5CCCCC5
InChi:InChI=1S/C29H26ClF2N3O3/c1-16-13-19(29(37)38)9-12-23(16)34-28(36)26(17-5-3-2-4-6-17)35-25-15-22(32)21(31)14-24(25)33-27(35)18-7-10-20(30)11-8-18/h7-15,17,26H,2-6H2,1H3,(H,34,36)(H,37,38)/t26-/m0/s1
Definition date:2010-09-08
Last modified:2011-06-04
Identifier:4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3-methylbenzoic acid
OOF
OOF
Name:4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)benzoic acid
Formula:C28 H24 Cl F2 N3 O3
SMILES:O=C(O)c1ccc(cc1)NC(=O)C(n3c4cc(F)c(F)cc4nc3c2ccc(Cl)cc2)C5CCCCC5
InChi:InChI=1S/C28H24ClF2N3O3/c29-19-10-6-17(7-11-19)26-33-23-14-21(30)22(31)15-24(23)34(26)25(16-4-2-1-3-5-16)27(35)32-20-12-8-18(9-13-20)28(36)37/h6-16,25H,1-5H2,(H,32,35)(H,36,37)/t25-/m0/s1
Definition date:2010-09-08
Last modified:2011-06-04
Identifier:4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)benzoic acid
OOK
OOK
Name:4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3,5-difluorobenzoic acid
Formula:C28 H22 Cl F4 N3 O3
SMILES:O=C(O)c1cc(F)c(c(F)c1)NC(=O)C(n3c4cc(F)c(F)cc4nc3c2ccc(Cl)cc2)C5CCCCC5
InChi:InChI=1S/C28H22ClF4N3O3/c29-17-8-6-15(7-9-17)26-34-22-12-18(30)19(31)13-23(22)36(26)25(14-4-2-1-3-5-14)27(37)35-24-20(32)10-16(28(38)39)11-21(24)33/h6-14,25H,1-5H2,(H,35,37)(H,38,39)/t25-/m0/s1
Definition date:2010-09-08
Last modified:2011-06-04
Identifier:4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3,5-difluorobenzoic acid
QQQ
QQQ
Name:1-(1-methylethyl)-1H-benzimidazole-2-sulfonic acid
Formula:C10 H12 N2 O3 S
SMILES:O=S(=O)(O)c2nc1ccccc1n2C(C)C
InChi:InChI=1S/C10H12N2O3S/c1-7(2)12-9-6-4-3-5-8(9)11-10(12)16(13,14)15/h3-7H,1-2H3,(H,13,14,15)
Definition date:2009-03-17
Last modified:2011-06-04
Identifier:1-(1-methylethyl)-1H-benzimidazole-2-sulfonic acid

223532

數據於2024-08-07公開中

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