compound 1 [PMID: 22465637]

Ligand id: 6236

Name: compound 1 [PMID: 22465637]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 28.16
Molecular weight 275.14
XLogP 4.89
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Jimenez HN, Liu KG, Hong SP, Reitman MS, Uberti MA, Bacolod MD, Cajina M, Nattini M, Sabio M, Doller D. (2012)
4-(1-Phenyl-1H-pyrazol-4-yl)quinolines as novel, selective and brain penetrant metabotropic glutamate receptor 4 positive allosteric modulators.
Bioorg. Med. Chem. Lett., 22 (9): 3235-9. [PMID:22465637]