compound 21 [PMID: 23312943]

Ligand id: 8135

Name: compound 21 [PMID: 23312943]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 79.11
Molecular weight 460.15
XLogP 4.48
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Powell NA, Hoffman JK, Ciske FL, Kohrt JT, Baxi SM, Peng YW, Zhong M, Catana C, Ohren J, Perrin LA et al.. (2013)
Optimization of highly selective 2,4-diaminopyrimidine-5-carboxamide inhibitors of Sky kinase.
Bioorg. Med. Chem. Lett., 23 (4): 1051-5. [PMID:23312943]