compound 89S [PMID: 19115845]

Ligand id: 8114

Name: compound 89S [PMID: 19115845]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 3
Topological polar surface area 96.69
Molecular weight 275.12
XLogP 0.8
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Kim JM, Yamada M, Masai H. (2003)
Functions of mammalian Cdc7 kinase in initiation/monitoring of DNA replication and development.
Mutat. Res., 532 (1-2): 29-40. [PMID:14643427]
2. Menichincheri M, Bargiotti A, Berthelsen J, Bertrand JA, Bossi R, Ciavolella A, Cirla A, Cristiani C, Croci V, D'Alessio R et al.. (2009)
First Cdc7 kinase inhibitors: pyrrolopyridinones as potent and orally active antitumor agents. 2. Lead discovery.
J. Med. Chem., 52 (2): 293-307. [PMID:19115845]