Chemical Components in the PDB

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CG7 : Summary

Code

CG7

One-letter code

X

Molecule name

5-{[6-chloro-5-(2'-hydroxy[1,1'-biphenyl]-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy}-2-methylbenzoic acid

Systematic names

ProgramVersionName
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

Formula

C26 H18 Cl N3 O4

Formal charge

0

Molecular weight

471.892 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 OC(c1cc(ccc1C)Oc2nc3c(n2)cc(Cl)c(n3)c4ccc(cc4)c5c(cccc5)O)=O
SMILES CACTVS 3.385 Cc1ccc(Oc2[nH]c3cc(Cl)c(nc3n2)c4ccc(cc4)c5ccccc5O)cc1C(O)=O
SMILES OpenEye OEToolkits 2.0.6 Cc1ccc(cc1C(=O)O)Oc2[nH]c3cc(c(nc3n2)c4ccc(cc4)c5ccccc5O)Cl
Canonical SMILES CACTVS 3.385 Cc1ccc(Oc2[nH]c3cc(Cl)c(nc3n2)c4ccc(cc4)c5ccccc5O)cc1C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.6 Cc1ccc(cc1C(=O)O)Oc2[nH]c3cc(c(nc3n2)c4ccc(cc4)c5ccccc5O)Cl

IUPAC InChI

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)

IUPAC InChI key

MEZQZPGDJJEQPZ-UHFFFAOYSA-N
CG7

wwPDB Information

Atom count

52 (34 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-09-21

Last modified at

2018-04-20

Status

Released

Obsoleted

Not Assigned