compound 13b [PMID: 18412317]

Ligand id: 2988

Name: compound 13b [PMID: 18412317]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 11
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 153.21
Molecular weight 484.21
XLogP 2.38
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Ahmad S, Madsen CS, Stein PD, Janovitz E, Huang C, Ngu K, Bisaha S, Kennedy LJ, Chen BC, Zhao R et al.. (2008)
(3R,5S,E)-7-(4-(4-fluorophenyl)-6-isopropyl-2-(methyl(1-methyl-1h-1,2,4-triazol-5-yl)amino)pyrimidin-5-yl)-3,5-dihydroxyhept-6-enoic acid (BMS-644950): a rationally designed orally efficacious 3-hydroxy-3-methylglutaryl coenzyme-a reductase inhibitor with reduced myotoxicity potential.
J. Med. Chem.51 (9): 2722-33. [PMID:18412317]