compound 39 [PMID: 23623673]

Ligand id: 8875

Name: compound 39 [PMID: 23623673]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 57.78
Molecular weight 389.07
XLogP 7.5
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Shiro T, Kakiguchi K, Takahashi H, Nagata H, Tobe M. (2013)
7-Phenyl-imidazoquinolin-4(5H)-one derivatives as selective and orally available mPGES-1 inhibitors.
Bioorg. Med. Chem.21 (11): 2868-78. [PMID:23623673]