compound 10i [PMID: 23084894]

Ligand id: 6365

Name: compound 10i [PMID: 23084894]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 95.59
Molecular weight 365.09
XLogP 2.21
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Brumfield S, Korakas P, Silverman LS, Tulshian D, Matasi JJ, Qiang L, Bennett CE, Burnett DA, Greenlee WJ, Knutson CE et al.. (2012)
Synthesis and SAR development of novel mGluR1 antagonists for the treatment of chronic pain.
Bioorg. Med. Chem. Lett., 22 (23): 7223-6. [PMID:23084894]