compound 7d [PMID: 25703523]

Ligand id: 8304

Name: compound 7d [PMID: 25703523]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 89.71
Molecular weight 319.01
XLogP 1.67
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Picaud S, Strocchia M, Terracciano S, Lauro G, Mendez J, Daniels DL, Riccio R, Bifulco G, Bruno I, Filippakopoulos P. (2015)
9H-Purine Scaffold Reveals Induced-Fit Pocket Plasticity of the BRD9 Bromodomain.
J. Med. Chem., 58 (6): 2718-36. [PMID:25703523]