compound 38 [PMID: 20817473]

Ligand id: 8768

Name: compound 38 [PMID: 20817473]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 10
Topological polar surface area 130.83
Molecular weight 544.23
XLogP 4.75
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Bindi S, Fancelli D, Alli C, Berta D, Bertrand JA, Cameron AD, Cappella P, Carpinelli P, Cervi G, Croci V et al.. (2010)
Thieno[3,2-c]pyrazoles: a novel class of Aurora inhibitors with favorable antitumor activity.
Bioorg. Med. Chem., 18 (19): 7113-20. [PMID:20817473]