compound 2 [PMID: 19097784]

Ligand id: 8646

Name: compound 2 [PMID: 19097784]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 99.77
Molecular weight 475.12
XLogP 5.71
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Emmitte KA, Andrews CW, Badiang JG, Davis-Ward RG, Dickson HD, Drewry DH, Emerson HK, Epperly AH, Hassler DF, Knick VB et al.. (2009)
Discovery of thiophene inhibitors of polo-like kinase.
Bioorg. Med. Chem. Lett., 19 (3): 1018-21. [PMID:19097784]