compound 2 [PMID: 15546730]

Ligand id: 8136

Name: compound 2 [PMID: 15546730]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 108.04
Molecular weight 373.08
XLogP 3.68
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Chen P, Norris D, Das J, Spergel SH, Wityak J, Leith L, Zhao R, Chen BC, Pitt S, Pang S et al.. (2004)
Discovery of novel 2-(aminoheteroaryl)-thiazole-5-carboxamides as potent and orally active Src-family kinase p56(Lck) inhibitors.
Bioorg. Med. Chem. Lett., 14 (24): 6061-6. [PMID:15546730]
2. Wityak J, Das J, Moquin RV, Shen Z, Lin J, Chen P, Doweyko AM, Pitt S, Pang S, Shen DR et al.. (2003)
Discovery and initial SAR of 2-amino-5-carboxamidothiazoles as inhibitors of the Src-family kinase p56(Lck).
Bioorg. Med. Chem. Lett., 13 (22): 4007-10. [PMID:14592495]