compound 44 [PMID: 19748780]

Ligand id: 8761

Name: compound 44 [PMID: 19748780]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 105.72
Molecular weight 518.21
XLogP 6.51
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Giroux A, Boulet L, Brideau C, Chau A, Claveau D, Côté B, Ethier D, Frenette R, Gagnon M, Guay J et al.. (2009)
Discovery of disubstituted phenanthrene imidazoles as potent, selective and orally active mPGES-1 inhibitors.
Bioorg. Med. Chem. Lett., 19 (20): 5837-41. [PMID:19748780]