compound 20 [PMID: 16439120]

Ligand id: 6371

Name: compound 20 [PMID: 16439120]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 45.91
Molecular weight 258.06
XLogP 3.89
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. B├╝ttelmann B, Peters JU, Ceccarelli S, Kolczewski S, Vieira E, Prinssen EP, Spooren W, Schuler F, Huwyler J, Porter RH et al.. (2006)
Arylmethoxypyridines as novel, potent and orally active mGlu5 receptor antagonists.
Bioorg. Med. Chem. Lett., 16 (7): 1892-7. [PMID:16439120]