compound 1 [PMID: 25408830]

Ligand id: 7809

Name: compound 1 [PMID: 25408830]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 66.64
Molecular weight 205.09
XLogP 0.01
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

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 Lett, 5 (11): 1190-1195. [PMID:25408830]