compound 1 [PMID: 22533316]

Ligand id: 6709

Name: compound 1 [PMID: 22533316]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 7
Topological polar surface area 20.31
Molecular weight 455.07
XLogP 8.74
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Staedler D, Chapuis-Bernasconi C, Dehmlow H, Fischer H, Juillerat-Jeanneret L, Aebi JD. (2012)
Cytotoxic effects of combination of oxidosqualene cyclase inhibitors with atorvastatin in human cancer cells.
J. Med. Chem.55 (11): 4990-5002. [PMID:22533316]