compound 23e [PMID: 17929793]

Ligand id: 6346

Name: compound 23e [PMID: 17929793]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 82.7
Molecular weight 370.03
XLogP 1.98
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Wu WL, Burnett DA, Domalski M, Greenlee WJ, Li C, Bertorelli R, Fredduzzi S, Lozza G, Veltri A, Reggiani A. (2007)
Discovery of orally efficacious tetracyclic metabotropic glutamate receptor 1 (mGluR1) antagonists for the treatment of chronic pain.
J. Med. Chem., 50 (23): 5550-3. [PMID:17929793]