compound 5 [PMID: 21838328]

Ligand id: 8790

Name: compound 5 [PMID: 21838328]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 56.15
Molecular weight 413.21
XLogP 7
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Gomaa MS, Bridgens CE, Veal GJ, Redfern CP, Brancale A, Armstrong JL, Simons C. (2011)
Synthesis and biological evaluation of 3-(1H-imidazol- and triazol-1-yl)-2,2-dimethyl-3-[4-(naphthalen-2-ylamino)phenyl]propyl derivatives as small molecule inhibitors of retinoic acid 4-hydroxylase (CYP26).
J. Med. Chem., 54 (19): 6803-11. [PMID:21838328]