compound 48 [PMID: 22364337]

Ligand id: 6320

Name: compound 48 [PMID: 22364337]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 66.22
Molecular weight 377.15
XLogP 4.59
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Cid JM, Duvey G, Tresadern G, Nhem V, Furnari R, Cluzeau P, Vega JA, de Lucas AI, Matesanz E, Alonso JM et al.. (2012)
Discovery of 1,4-disubstituted 3-cyano-2-pyridones: a new class of positive allosteric modulators of the metabotropic glutamate 2 receptor.
J. Med. Chem., 55 (5): 2388-405. [PMID:22364337]