compound 3 [PMID: 21105727]

Ligand id: 6223

Name: compound 3 [PMID: 21105727]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 70.92
Molecular weight 308.12
XLogP 3.77
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Schann S, Mayer S, Franchet C, Frauli M, Steinberg E, Thomas M, Baron L, Neuville P. (2010)
Chemical switch of a metabotropic glutamate receptor 2 silent allosteric modulator into dual metabotropic glutamate receptor 2/3 negative/positive allosteric modulators.
J. Med. Chem., 53 (24): 8775-9. [PMID:21105727]