compound 41 [PMID: 23434029]

Ligand id: 6420

Name: compound 41 [PMID: 23434029]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 59.81
Molecular weight 324.14
XLogP 4.8
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Chae E, Shin YJ, Ryu EJ, Ji MK, Ryune Cho N, Lee KH, Jeong HJ, Kim SJ, Choi Y, Seok Oh K et al.. (2013)
Discovery of biological evaluation of pyrazole/imidazole amides as mGlu5 receptor negative allosteric modulators.
Bioorg. Med. Chem. Lett.23 (7): 2134-9. [PMID:23434029]