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6PP
6PP
Name:3-[(2Z)-3-methylpent-2-en-1-yl]benzene-1,2-diol
Formula:C12 H16 O2
SMILES:Oc1c(cccc1O)C/C=C(/C)CC
InChi:InChI=1S/C12H16O2/c1-3-9(2)7-8-10-5-4-6-11(13)12(10)14/h4-7,13-14H,3,8H2,1-2H3/b9-7-
Definition date:2011-09-21
Last modified:2011-10-07
Identifier:3-[(2Z)-3-methylpent-2-en-1-yl]benzene-1,2-diol
MEX
MEX
Name:1-(2,4-dihydroxyphenyl)-1,3-dihydro-2H-benzimidazol-2-one
Formula:C13 H10 N2 O3
SMILES:O=C2Nc1ccccc1N2c3ccc(O)cc3O
InChi:InChI=1S/C13H10N2O3/c16-8-5-6-11(12(17)7-8)15-10-4-2-1-3-9(10)14-13(15)18/h1-7,16-17H,(H,14,18)
Definition date:2010-09-20
Last modified:2011-09-16
Identifier:1-(2,4-dihydroxyphenyl)-1,3-dihydro-2H-benzimidazol-2-one
MEY
MEY
Name:N-{[1-(5-chloro-2,4-dihydroxyphenyl)-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl]methyl}naphthalene-1-sulfonamide
Formula:C24 H18 Cl N3 O5 S
SMILES:O=S(=O)(c2c1ccccc1ccc2)NCc3cc4c(cc3)N(C(=O)N4)c5cc(Cl)c(O)cc5O
InChi:InChI=1S/C24H18ClN3O5S/c25-17-11-20(22(30)12-21(17)29)28-19-9-8-14(10-18(19)27-24(28)31)13-26-34(32,33)23-7-3-5-15-4-1-2-6-16(15)23/h1-12,26,29-30H,13H2,(H,27,31)
Definition date:2010-09-21
Last modified:2011-09-16
Identifier:N-{[1-(5-chloro-2,4-dihydroxyphenyl)-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl]methyl}naphthalene-1-sulfonamide
EV6
EV6
Name:(3S)-3-(2-amino-5-chloro-1H-benzimidazol-1-yl)-N-[(1R,3S,5R,7R)-tricyclo[3.3.1.1~3,7~]dec-2-yl]pentanamide
Formula:C22 H29 Cl N4 O
SMILES:O=C(NC3C1CC2CC(C1)CC3C2)CC(n4c5ccc(Cl)cc5nc4N)CC
InChi:InChI=1S/C22H29ClN4O/c1-2-17(27-19-4-3-16(23)10-18(19)25-22(27)24)11-20(28)26-21-14-6-12-5-13(8-14)9-15(21)7-12/h3-4,10,12-15,17,21H,2,5-9,11H2,1H3,(H2,24,25)(H,26,28)/t12-,13+,14-,15+,17-,21-/m0/s1
Definition date:2010-05-03
Last modified:2011-08-31
Identifier:(3S)-3-(2-amino-5-chloro-1H-benzimidazol-1-yl)-N-[(1R,3S,5R,7R)-tricyclo[3.3.1.1~3,7~]dec-2-yl]pentanamide
3NS
3NS
Name:(3S)-4-hydroxy-3-{[(2S)-4-{[2-(2-methyl-1H-benzimidazol-1-yl)ethyl]amino}-2-(1-methylethyl)-4-oxobutanoyl]amino}butanoic acid
Formula:C21 H30 N4 O5
SMILES:O=C(O)CC(NC(=O)C(C(C)C)CC(=O)NCCn1c2ccccc2nc1C)CO
InChi:InChI=1S/C21H30N4O5/c1-13(2)16(21(30)24-15(12-26)10-20(28)29)11-19(27)22-8-9-25-14(3)23-17-6-4-5-7-18(17)25/h4-7,13,15-16,26H,8-12H2,1-3H3,(H,22,27)(H,24,30)(H,28,29)/t15-,16-/m0/s1
Definition date:2010-07-06
Last modified:2011-08-12
Identifier:(3S)-4-hydroxy-3-{[(2S)-4-{[2-(2-methyl-1H-benzimidazol-1-yl)ethyl]amino}-4-oxo-2-(propan-2-yl)butanoyl]amino}butanoic acid
0BB
0BB
Name:4-{3-[(4-methyl-1-benzothiophen-3-yl)methyl]-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl}butanoic acid
Formula:C21 H20 N2 O3 S
SMILES:O=C(O)CCCN2c1ccccc1N(C2=O)Cc3c4c(cccc4sc3)C
InChi:InChI=1S/C21H20N2O3S/c1-14-6-4-9-18-20(14)15(13-27-18)12-23-17-8-3-2-7-16(17)22(21(23)26)11-5-10-19(24)25/h2-4,6-9,13H,5,10-12H2,1H3,(H,24,25)
Definition date:2011-05-23
Last modified:2011-07-15
Identifier:4-{3-[(4-methyl-1-benzothiophen-3-yl)methyl]-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl}butanoic acid
AXC
AXC
Name:5-(1H-BENZIMIDAZOL-2-YLMETHYLSULFANYL)-2-METHYL-[1,2,4]TRIAZOLO[1,5-C]QUINAZOLINE
Formula:C18 H14 N6 S
SMILES:Cc1nn2c(SCc3[nH]c4ccccc4n3)nc5ccccc5c2n1
InChi:InChI=1S/C18H14N6S/c1-11-19-17-12-6-2-3-7-13(12)22-18(24(17)23-11)25-10-16-20-14-8-4-5-9-15(14)21-16/h2-9H,10H2,1H3,(H,20,21)
Definition date:2010-12-03
Last modified:2011-06-10
Identifier:5-(1H-benzimidazol-2-ylmethylsulfanyl)-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline
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
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
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
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
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
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
WGZ
WGZ
Name:5-{6-[(1-METHYLPIPERIDIN-4-YL)OXY]-1H-BENZIMIDAZOL-1-YL}-3-{(1R)-1-[2-(TRIFLUOROMETHYL)PHENYL]ETHOXY}THIOPHENE-2-CARBOXAMIDE
Formula:C27 H27 F3 N4 O3 S
SMILES:FC(F)(F)c1ccccc1C(Oc5c(sc(n4cnc3ccc(OC2CCN(C)CC2)cc34)c5)C(=O)N)C
InChi:InChI=1S/C27H27F3N4O3S/c1-16(19-5-3-4-6-20(19)27(28,29)30)36-23-14-24(38-25(23)26(31)35)34-15-32-21-8-7-18(13-22(21)34)37-17-9-11-33(2)12-10-17/h3-8,13-17H,9-12H2,1-2H3,(H2,31,35)/t16-/m1/s1
Definition date:2010-08-05
Last modified:2011-06-04
Identifier:5-{6-[(1-methylpiperidin-4-yl)oxy]-1H-benzimidazol-1-yl}-3-{(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy}thiophene-2-carboxamide
XGA
XGA
Name:6-AMINO-3-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-3,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE
Formula:C14 H16 N5 O7 P
SMILES:O=C2c3cc1ncn(c1cc3N=C(N)N2)C4OC(C(O)C4)COP(=O)(O)O
InChi:InChI=1S/C14H16N5O7P/c15-14-17-7-2-9-8(1-6(7)13(21)18-14)16-5-19(9)12-3-10(20)11(26-12)4-25-27(22,23)24/h1-2,5,10-12,20H,3-4H2,(H2,22,23,24)(H3,15,17,18,21)/t10-,11+,12+/m0/s1
Definition date:2006-09-26
Last modified:2011-06-04
Identifier:6-amino-3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
XYH
XYH
Name:XYLAROHYDROXAMATE
Formula:C5 H8 N O7
SMILES:O=C(NO)C(O)C(O)C(O)C([O-])=O
InChi:InChI=1S/C5H9NO7/c7-1(3(9)5(11)12)2(8)4(10)6-13/h1-3,7-9,13H,(H,6,10)(H,11,12)/p-1/t1-,2-,3+/m0/s1
Definition date:2000-01-31
Last modified:2011-06-04
Identifier:(2R,3S,4S)-2,3,4-trihydroxy-5-(hydroxyamino)-5-oxopentanoate (non-preferred name)
YHO
YHO
Name:(1S,2S,3R,4R)-4-aminocyclopentane-1,2,3-triol
Formula:C5 H11 N O3
SMILES:OC1CC(N)C(O)C1O
InChi:InChI=1S/C5H11NO3/c6-2-1-3(7)5(9)4(2)8/h2-5,7-9H,1,6H2/t2-,3+,4-,5+/m1/s1
Definition date:2008-07-25
Last modified:2011-06-04
Identifier:(1S,2S,3R,4R)-4-aminocyclopentane-1,2,3-triol
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
7AC
7AC
Name:7-(aminomethyl)-6-(2-chlorophenyl)-1-methyl-1H-benzimidazole-5-carbonitrile
Formula:C16 H13 Cl N4
SMILES:Clc3ccccc3c1c(C#N)cc2ncn(c2c1CN)C
InChi:InChI=1S/C16H13ClN4/c1-21-9-20-14-6-10(7-18)15(12(8-19)16(14)21)11-4-2-3-5-13(11)17/h2-6,9H,8,19H2,1H3
Definition date:2008-02-27
Last modified:2011-06-04
Identifier:7-(aminomethyl)-6-(2-chlorophenyl)-1-methyl-1H-benzimidazole-5-carbonitrile
L0C
L0C
Name:4-{[2-(4-{[(4-FLUOROPHENYL)CARBONYL]AMINO}-1H-PYRAZOL-3-YL)-1H-BENZIMIDAZOL-6-YL]METHYL}MORPHOLIN-4-IUM
Formula:C22 H22 F N6 O2
SMILES:Fc1ccc(cc1)C(=O)Nc2c[nH]nc2c3[nH]c4cc(C[NH]5CCOCC5)ccc4n3
InChi:InChI=1S/C22H21FN6O2/c23-16-4-2-15(3-5-16)22(30)27-19-12-24-28-20(19)21-25-17-6-1-14(11-18(17)26-21)13-29-7-9-31-10-8-29/h1-6,11-12H,7-10,13H2,(H,24,28)(H,25,26)(H,27,30)/p+1
Definition date:2008-10-17
Last modified:2011-06-04
Identifier:4-fluoro-N-[3-[6-(1-oxa-4$l^{4}-azacyclohex-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide
L0D
L0D
Name:2-(1H-pyrazol-3-yl)-1H-benzimidazole
Formula:C10 H8 N4
SMILES:n2c1c(cccc1)nc2c3nncc3
InChi:InChI=1S/C10H8N4/c1-2-4-8-7(3-1)12-10(13-8)9-5-6-11-14-9/h1-6H,(H,11,14)(H,12,13)
Definition date:2008-10-17
Last modified:2011-06-04
Identifier:2-(1H-pyrazol-3-yl)-1H-benzimidazole
L0E
L0E
Name:4-[(2-{4-[(PHENYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL-5-YL)METHYL]MORPHOLIN-4-IUM
Formula:C22 H24 N7 O2
SMILES:O=C(Nc1ccccc1)Nc2c[nH]nc2c3[nH]c4ccc(C[NH]5CCOCC5)cc4n3
InChi:InChI=1S/C22H23N7O2/c30-22(24-16-4-2-1-3-5-16)27-19-13-23-28-20(19)21-25-17-7-6-15(12-18(17)26-21)14-29-8-10-31-11-9-29/h1-7,12-13H,8-11,14H2,(H,23,28)(H,25,26)(H2,24,27,30)/p+1
Definition date:2008-10-17
Last modified:2011-06-04
Identifier:3-[3-[5-(1-oxa-4$l^{4}-azacyclohex-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-phenyl-urea
L0F
L0F
Name:N-[3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRAZOL-4-YL]BENZAMIDE
Formula:C17 H13 N5 O
SMILES:O=C(Nc1c(nnc1)c2nc3ccccc3n2)c4ccccc4
InChi:InChI=1S/C17H13N5O/c23-17(11-6-2-1-3-7-11)21-14-10-18-22-15(14)16-19-12-8-4-5-9-13(12)20-16/h1-10H,(H,18,22)(H,19,20)(H,21,23)
Definition date:2008-10-17
Last modified:2011-06-04
Identifier:N-[3-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide

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數據於2024-09-11公開中

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