compound 7b [Haftchenary et al., 2013]

Ligand id: 8850

Name: compound 7b [Haftchenary et al., 2013]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 126.84
Molecular weight 629.26
XLogP 8.16
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

References
1. Haftchenary S, Ball DP, Aubry I, Landry M, Shahani VM, Fletcher S, Page BDG, Jouk AO, Tremblay ML, Gunning PT. (2013)
Identification of a potent salicylic acid-based inhibitor of tyrosine phosphatase PTP1B.
MedChemComm.,  (4): 987-992.