compound 30 [PMID: 17280833]

Ligand id: 8193

Name: compound 30 [PMID: 17280833]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 63.42
Molecular weight 504.25
XLogP 9.44
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. DiMauro EF, Newcomb J, Nunes JJ, Bemis JE, Boucher C, Buchanan JL, Buckner WH, Cheng A, Faust T, Hsieh F et al.. (2007)
Discovery of 4-amino-5,6-biaryl-furo[2,3-d]pyrimidines as inhibitors of Lck: development of an expedient and divergent synthetic route and preliminary SAR.
Bioorg. Med. Chem. Lett.17 (8): 2305-9. [PMID:17280833]