compound 13 [PMID: 15686941]

Ligand id: 6447

Name: compound 13 [PMID: 15686941]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 93.79
Molecular weight 229.1
XLogP 1.25
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Bonnefous C, Vernier JM, Hutchinson JH, Chung J, Reyes-Manalo G, Kamenecka T. (2005)
Dipyridyl amides: potent metabotropic glutamate subtype 5 (mGlu5) receptor antagonists.
Bioorg. Med. Chem. Lett.15 (4): 1197-200. [PMID:15686941]