compound 22a [PMID: 21688779]

Ligand id: 6231

Name: compound 22a [PMID: 21688779]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 94.73
Molecular weight 283.09
XLogP 2.82
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Hong SP, Liu KG, Ma G, Sabio M, Uberti MA, Bacolod MD, Peterson J, Zou ZZ, Robichaud AJ, Doller D. (2011)
Tricyclic thiazolopyrazole derivatives as metabotropic glutamate receptor 4 positive allosteric modulators.
J. Med. Chem., 54 (14): 5070-81. [PMID:21688779]