compound 3b [PMID: 23454515]

Ligand id: 8127

Name: compound 3b [PMID: 23454515]

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 15
Topological polar surface area 134.89
Molecular weight 498.21
XLogP 1.06
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Burgy G, Tahtouh T, Durieu E, Foll-Josselin B, Limanton E, Meijer L, Carreaux F, Bazureau JP. (2013)
Chemical synthesis and biological validation of immobilized protein kinase inhibitory Leucettines.
Eur J Med Chem, 62: 728-37. [PMID:23454515]