compound 82 [PMID: 21332118]

Ligand id: 8805

Name: compound 82 [PMID: 21332118]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 137.67
Molecular weight 476.02
XLogP 3.7
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. D'Angelo ND, Kim TS, Andrews K, Booker SK, Caenepeel S, Chen K, D'Amico D, Freeman D, Jiang J, Liu L et al.. (2011)
Discovery and optimization of a series of benzothiazole phosphoinositide 3-kinase (PI3K)/mammalian target of rapamycin (mTOR) dual inhibitors.
J. Med. Chem.54 (6): 1789-811. [PMID:21332118]