compound 46 [PMID: 16451062]

Ligand id: 8355

Name: compound 46 [PMID: 16451062]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 13
Topological polar surface area 149.97
Molecular weight 580.23
XLogP 3.17
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Jung FH, Pasquet G, Lambert-van der Brempt C, Lohmann JJ, Warin N, Renaud F, Germain H, De Savi C, Roberts N, Johnson T et al.. (2006)
Discovery of novel and potent thiazoloquinazolines as selective Aurora A and B kinase inhibitors.
J. Med. Chem., 49 (3): 955-70. [PMID:16451062]