compound 23 [PMID: 17590335]

Ligand id: 6444

Name: compound 23 [PMID: 17590335]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 36.68
Molecular weight 262.09
XLogP 4.8
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Milbank JB, Knauer CS, Augelli-Szafran CE, Sakkab-Tan AT, Lin KK, Yamagata K, Hoffman JK, Zhuang N, Thomas J, Galatsis P et al.. (2007)
Rational design of 7-arylquinolines as non-competitive metabotropic glutamate receptor subtype 5 antagonists.
Bioorg. Med. Chem. Lett., 17 (16): 4415-8. [PMID:17590335]