compound 3 [PMID: 25408830]

Ligand id: 7811

Name: compound 3 [PMID: 25408830]

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 65.12
Molecular weight 394.2
XLogP 3.09
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Demont EH, Bamborough P, Chung CW, Craggs PD, Fallon D, Gordon LJ, Grandi P, Hobbs CI, Hussain J, Jones EJ et al.. (2014)
1,3-Dimethyl Benzimidazolones Are Potent, Selective Inhibitors of the BRPF1 Bromodomain.
ACS Med Chem Lett5 (11): 1190-1195. [PMID:25408830]