compound 53 [PMID: 23434029]

Ligand id: 6451

Name: compound 53 [PMID: 23434029]

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 72.7
Molecular weight 327.09
XLogP 4.14
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]