compound 5 [Noble et al., 1992]

Ligand id: 8844

Name: compound 5 [Noble et al., 1992]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 13
Hydrogen bond donors 9
Rotatable bonds 6
Topological polar surface area 320.44
Molecular weight 451.92
XLogP -3.39
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

References
1. Noble NJ, Dubreuil D, Potter BVL. (1992)
Total synthesis of myo-inositol-1-phosphate-4,5-pyrophosphate, a novel second messenger analogue, via myo-inositol-1-phosphate-4,5-bisphosphorothioate.
Bioorganic & Medicinal Chemistry Letters2 (5): 471-476.