compound 1 [PMID: 22795084]

Ligand id: 7032

Name: compound 1 [PMID: 22795084]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 95.15
Molecular weight 302.12
XLogP 3.18
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Siarheyeva A, Senisterra G, Allali-Hassani A, Dong A, Dobrovetsky E, Wasney GA, Chau I, Marcellus R, Hajian T, Liu F et al.. (2012)
An allosteric inhibitor of protein arginine methyltransferase 3.
Structure, 20 (8): 1425-35. [PMID:22795084]