compound 9 [PMID: 7932551]

Ligand id: 3030

Name: compound 9 [PMID: 7932551]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 93.06
Molecular weight 518.36
XLogP 6.73
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Wess G, Kramer W, Han XB, Bock K, Enhsen A, Glombik H, Baringhaus KH, Böger G, Urmann M, Hoffmann A. (1994)
Synthesis and biological activity of bile acid-derived HMG-CoA reductase inhibitors. The role of 21-methyl in recognition of HMG-CoA reductase and the ileal bile acid transport system.
J. Med. Chem., 37 (20): 3240-6. [PMID:7932551]