compound 47 [PMID: 21295468]

Ligand id: 6406

Name: compound 47 [PMID: 21295468]

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 34.59
Molecular weight 256.12
XLogP 2.89
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Varnes JG, Marcus AP, Mauger RC, Throner SR, Hoesch V, King MM, Wang X, Sygowski LA, Spear N, Gadient R et al.. (2011)
Discovery of novel positive allosteric modulators of the metabotropic glutamate receptor 5 (mGlu5).
Bioorg. Med. Chem. Lett., 21 (5): 1402-6. [PMID:21295468]