compound 24 [PMID: 23374867]

Ligand id: 6419

Name: compound 24 [PMID: 23374867]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 100.94
Molecular weight 431.18
XLogP 4.69
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Hao J, Dehlinger V, Fivush AM, Rudyk HC, Britton TC, Hollinshead SP, Vokits BP, Clark BP, Henry SS, Massey SM et al.. (2013)
Discovery of (1R,2R)-N-(4-(6-isopropylpyridin-2-yl)-3-(2-methyl-2H-indazol-5-yl)isothiazol-5-yl)-2-methylcyclopropanecarboxamide, a potent and orally efficacious mGlu5 receptor negative allosteric modulator.
Bioorg. Med. Chem. Lett., 23 (5): 1249-52. [PMID:23374867]