compound 22 [PMID: 24754609]

Ligand id: 10234

Name: compound 22 [PMID: 24754609]

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 122.2
Molecular weight 436.17
XLogP 2.65
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Collier PN, Martinez-Botella G, Cornebise M, Cottrell KM, Doran JD, Griffith JP, Mahajan S, Maltais F, Moody CS, Huck EP et al.. (2015)
Structural basis for isoform selectivity in a class of benzothiazole inhibitors of phosphoinositide 3-kinase γ.
J. Med. Chem., 58 (1): 517-21. [PMID:24754609]
2. Collier PN, Messersmith D, Le Tiran A, Bandarage UK, Boucher C, Come J, Cottrell KM, Damagnez V, Doran JD, Griffith JP et al.. (2015)
Discovery of Highly Isoform Selective Thiazolopiperidine Inhibitors of Phosphoinositide 3-Kinase γ.
J. Med. Chem., 58 (14): 5684-8. [PMID:26121481]