compound 8 [PMID: 15482908]

Ligand id: 6448

Name: compound 8 [PMID: 15482908]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 80.28
Molecular weight 266.07
XLogP 2.74
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Smith ND, Poon SF, Huang D, Green M, King C, Tehrani L, Roppe JR, Chung J, Chapman DP, Cramer M et al.. (2004)
Discovery of highly potent, selective, orally bioavailable, metabotropic glutamate subtype 5 (mGlu5) receptor antagonists devoid of cytochrome P450 1A2 inhibitory activity.
Bioorg. Med. Chem. Lett., 14 (22): 5481-4. [PMID:15482908]