compound 23 [PMID: 17125252]

Ligand id: 8756

Name: compound 23 [PMID: 17125252]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 54.26
Molecular weight 189.06
XLogP 3.63
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Yano JK, Denton TT, Cerny MA, Zhang X, Johnson EF, Cashman JR. (2006)
Synthetic inhibitors of cytochrome P-450 2A6: inhibitory activity, difference spectra, mechanism of inhibition, and protein cocrystallization.
J. Med. Chem., 49 (24): 6987-7001. [PMID:17125252]