compound 1a [PMID: 24900749]

Ligand id: 8128

Name: compound 1a [PMID: 24900749]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 6
Topological polar surface area 107.14
Molecular weight 361.17
XLogP 2
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Dowling JE, Alimzhanov M, Bao L, Block MH, Chuaqui C, Cooke EL, Denz CR, Hird A, Huang S, Larsen NA et al.. (2013)
Structure and Property Based Design of Pyrazolo[1,5-a]pyrimidine Inhibitors of CK2 Kinase with Activity in Vivo.
ACS Med Chem Lett, 4 (8): 800-5. [PMID:24900749]