VU0361737   Click here for help

GtoPdb Ligand ID: 3956

Synonyms: compound 9b [PMID: 19469556] [1] | VU 0361737 | VU-0361737
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 51.22
Molecular weight 262.05
XLogP 2.37
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1cc(ccc1Cl)NC(=O)c1ccccn1
Isomeric SMILES COc1cc(ccc1Cl)NC(=O)c1ccccn1
InChI InChI=1S/C13H11ClN2O2/c1-18-12-8-9(5-6-10(12)14)16-13(17)11-4-2-3-7-15-11/h2-8H,1H3,(H,16,17)
InChI Key ARYUXFNGXHNNDM-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-(4-chloro-3-methoxyphenyl)pyridine-2-carboxamide
Synonyms Click here for help
compound 9b [PMID: 19469556] [1] | VU 0361737 | VU-0361737
Database Links Click here for help
CAS Registry No. 1161205-04-4 (source: Scifinder)
ChEMBL Ligand CHEMBL562551
GtoPdb PubChem SID 178100783
PubChem CID 44191096
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Tocris
VU 0361737
Cat. No. 3707