VU0364770   Click here for help

GtoPdb Ligand ID: 6234

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 3
Topological polar surface area 41.99
Molecular weight 232.04
XLogP 2.45
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Clc1cccc(c1)NC(=O)c1ccccn1
Isomeric SMILES Clc1cccc(c1)NC(=O)c1ccccn1
InChI InChI=1S/C12H9ClN2O/c13-9-4-3-5-10(8-9)15-12(16)11-6-1-2-7-14-11/h1-8H,(H,15,16)
InChI Key SUYUTNCKIOLMAJ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-(3-chlorophenyl)pyridine-2-carboxamide
Database Links Click here for help
ChEMBL Ligand CHEMBL556667
GtoPdb PubChem SID 178102855
PubChem CID 836002
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Tocris
VU 0364770
Cat. No. 4469