compound 50 [PMID: 18072721]

Ligand id: 3008

Name: compound 50 [PMID: 18072721]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 13
Topological polar surface area 118.72
Molecular weight 524.26
XLogP 5.46
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Pfefferkorn JA, Choi C, Larsen SD, Auerbach B, Hutchings R, Park W, Askew V, Dillon L, Hanselman JC, Lin Z et al.. (2008)
Substituted pyrazoles as hepatoselective HMG-CoA reductase inhibitors: discovery of (3R,5R)-7-[2-(4-fluoro-phenyl)-4-isopropyl-5-(4-methyl-benzylcarbamoyl)-2H-pyrazol-3-yl]-3,5-dihydroxyheptanoic acid (PF-3052334) as a candidate for the treatment of hypercholesterolemia.
J. Med. Chem., 51 (1): 31-45. [PMID:18072721]