Ligand id: 6341


Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 63.91
Molecular weight 349.13
XLogP 3.05
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Satow A, Suzuki G, Maehara S, Hikichi H, Murai T, Murai T, Kawagoe-Takaki H, Hata M, Ito S, Ozaki S et al.. (2009)
Unique antipsychotic activities of the selective metabotropic glutamate receptor 1 allosteric antagonist 2-cyclopropyl-5-[1-(2-fluoro-3-pyridinyl)-5-methyl-1H-1,2,3-triazol-4-yl]-2,3-dihydro-1H-isoindol-1-one.
J. Pharmacol. Exp. Ther., 330 (1): 179-90. [PMID:19359526]