compound 57 [PMID: 26155854]

Ligand id: 8640

Name: compound 57 [PMID: 26155854]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 3
Topological polar surface area 78.94
Molecular weight 349.19
XLogP 1.7
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Demont EH, Chung CW, Furze RC, Grandi P, Michon AM, Wellaway C, Barrett N, Bridges AM, Craggs PD, Diallo H et al.. (2015)
Fragment-Based Discovery of Low-Micromolar ATAD2 Bromodomain Inhibitors.
J. Med. Chem., 58 (14): 5649-73. [PMID:26155854]