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Summary Geometry Related PDB entries

CG7

Summary

Name:	5-{[6-chloro-5-(2'-hydroxy[1,1'-biphenyl]-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy}-2-methylbenzoic acid
Formula:	C26 H18 Cl N3 O4
Formal charge:	0
Formula weight:	471.892 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	5-{[6-chloro-5-(2'-hydroxy[1,1'-biphenyl]-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy}-2-methylbenzoic acid
OpenEye OEToolkits	2.0.6	5-[[6-chloranyl-5-[4-(2-hydroxyphenyl)phenyl]-1~{H}-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methyl-benzoic acid

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	OC(c1cc(ccc1C)Oc2nc3c(n2)cc(Cl)c(n3)c4ccc(cc4)c5c(cccc5)O)=O
InChI	InChI	1.03	InChI=1S/C26H18ClN3O4/c1-14-6-11-17(12-19(14)25(32)33)34-26-28-21-13-20(27)23(29-24(21)30-26)16-9-7-15(8-10-16)18-4-2-3-5-22(18)31/h2-13,31H,1H3,(H,32,33)(H,28,29,30)
InChIKey	InChI	1.03	MEZQZPGDJJEQPZ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1ccc(Oc2[nH]c3cc(Cl)c(nc3n2)c4ccc(cc4)c5ccccc5O)cc1C(O)=O
SMILES	CACTVS	3.385	Cc1ccc(Oc2[nH]c3cc(Cl)c(nc3n2)c4ccc(cc4)c5ccccc5O)cc1C(O)=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	Cc1ccc(cc1C(=O)O)Oc2[nH]c3cc(c(nc3n2)c4ccc(cc4)c5ccccc5O)Cl
SMILES	OpenEye OEToolkits	2.0.6	Cc1ccc(cc1C(=O)O)Oc2[nH]c3cc(c(nc3n2)c4ccc(cc4)c5ccccc5O)Cl

218500

数据于2024-04-17公开中

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