Ligand id: 8878

Name: AS1949490

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 66.57
Molecular weight 371.07
XLogP 6.44
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Suwa A, Yamamoto T, Sawada A, Minoura K, Hosogai N, Tahara A, Kurama T, Shimokawa T, Aramori I. (2009)
Discovery and functional characterization of a novel small molecule inhibitor of the intracellular phosphatase, SHIP2.
Br. J. Pharmacol., 158 (3): 879-87. [PMID:19694723]