CG7

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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
Molecular weight:471.892 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.015-{[6-chloro-5-(2'-hydroxy[1,1'-biphenyl]-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy}-2-methylbenzoic acid
OpenEye OEToolkits2.0.65-[[6-chloranyl-5-[4-(2-hydroxyphenyl)phenyl]-1~{H}-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methyl-benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01OC(c1cc(ccc1C)Oc2nc3c(n2)cc(Cl)c(n3)c4ccc(cc4)c5c(cccc5)O)=O
InChIInChI1.03InChI=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)
InChIKeyInChI1.03MEZQZPGDJJEQPZ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1ccc(Oc2[nH]c3cc(Cl)c(nc3n2)c4ccc(cc4)c5ccccc5O)cc1C(O)=O
SMILESCACTVS3.385Cc1ccc(Oc2[nH]c3cc(Cl)c(nc3n2)c4ccc(cc4)c5ccccc5O)cc1C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.6Cc1ccc(cc1C(=O)O)Oc2[nH]c3cc(c(nc3n2)c4ccc(cc4)c5ccccc5O)Cl
SMILESOpenEye OEToolkits2.0.6Cc1ccc(cc1C(=O)O)Oc2[nH]c3cc(c(nc3n2)c4ccc(cc4)c5ccccc5O)Cl
167518
PDB entries from 2020-08-12