compound 8 [PMID: 20598884]

Ligand id: 6436

Name: compound 8 [PMID: 20598884]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 94.02
Molecular weight 261.04
XLogP 2.39
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Felts AS, Lindsley SR, Lamb JP, Rodriguez AL, Menon UN, Jadhav S, Jones CK, Conn PJ, Lindsley CW, Emmitte KA. (2010)
3-Cyano-5-fluoro-N-arylbenzamides as negative allosteric modulators of mGlu(5): Identification of easily prepared tool compounds with CNS exposure in rats.
Bioorg. Med. Chem. Lett., 20 (15): 4390-4. [PMID:20598884]