Chemical Components in the PDB

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NKH : Summary

Code

NKH

One-letter code

X

Molecule name

N-(4-CHLORO-2,5-DIMETHOXYPHENYL)QUINOLINE-8-CARBOXAMIDE

Systematic names

ProgramVersionName
OpenEye OEToolkits 1.7.6 N-(4-chloranyl-2,5-dimethoxy-phenyl)quinoline-8-carboxamide

Formula

C18 H15 Cl N2 O3

Formal charge

0

Molecular weight

342.776 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.370 COc1cc(NC(=O)c2cccc3cccnc23)c(OC)cc1Cl
SMILES OpenEye OEToolkits 1.7.6 COc1cc(c(cc1Cl)OC)NC(=O)c2cccc3c2nccc3
Canonical SMILES CACTVS 3.370 COc1cc(NC(=O)c2cccc3cccnc23)c(OC)cc1Cl
Canonical SMILES OpenEye OEToolkits 1.7.6 COc1cc(c(cc1Cl)OC)NC(=O)c2cccc3c2nccc3
NKH

wwPDB Information

Atom count

39 (24 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-05-18

Last modified at

2013-09-13

Status

Released

Obsoleted

Not Assigned