compound 36 [PMID: 17936624]

Ligand id: 6445

Name: compound 36 [PMID: 17936624]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 44.24
Molecular weight 280.12
XLogP 3.38
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Galatsis P, Yamagata K, Wendt JA, Connolly CJ, Mickelson JW, Milbank JB, Bove SE, Knauer CS, Brooker RM, Augelli-Szafran CE et al.. (2007)
Synthesis and SAR comparison of regioisomeric aryl naphthyridines as potent mGlu5 receptor antagonists.
Bioorg. Med. Chem. Lett., 17 (23): 6525-8. [PMID:17936624]