compound 9 [PMID: 11606127]

Ligand id: 8833

Name: compound 9 [PMID: 11606127]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 89.6
Molecular weight 356.13
XLogP 4.14
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Ha-Duong NT, Dijols S, Marques-Soares C, Minoletti C, Dansette PM, Mansuy D. (2001)
Synthesis of sulfaphenazole derivatives and their use as inhibitors and tools for comparing the active sites of human liver cytochromes P450 of the 2C subfamily.
J. Med. Chem., 44 (22): 3622-31. [PMID:11606127]