compound 11s [PMID: 19433355]

Ligand id: 6215

Name: compound 11s [PMID: 19433355]

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 82.7
Molecular weight 362.08
XLogP 2.36
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Sasikumar TK, Qiang L, Burnett DA, Greenlee WJ, Li C, Heimark L, Pramanik B, Grilli M, Bertorelli R, Lozza G et al.. (2009)
Tricyclic thienopyridine-pyrimidones/thienopyrimidine-pyrimidones as orally efficacious mGluR1 antagonists for neuropathic pain.
Bioorg. Med. Chem. Lett.19 (12): 3199-203. [PMID:19433355]