compound 15 [Hay et al., 2013]

Ligand id: 7528

Name: compound 15 [Hay et al., 2013]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 46.26
Molecular weight 305.14
XLogP 6.07
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Hay D, Fedorov O, Filippakopoulos P, Martin S, Philpott M, Picaud S, Hewings DS, Uttakar S, Heightman TD, Conway SJ et al.. (2013)
The design and synthesis of 5- and 6-isoxazolylbenzimidazoles as selective inhibitors of the BET bromodomains.
MedChemCommun., 4 (1): 140-144.