compound 25 [PMID: 18068976]

Ligand id: 8568

Name: compound 25 [PMID: 18068976]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 9
Topological polar surface area 144.86
Molecular weight 523.24
XLogP 3.28
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Burns DM, He C, Li Y, Scherle P, Liu X, Marando CA, Covington MB, Yang G, Pan M, Turner S et al.. (2008)
Conversion of an MMP-potent scaffold to an MMP-selective HER-2 sheddase inhibitor via scaffold hybridization and subtle P1' permutations.
Bioorg. Med. Chem. Lett., 18 (2): 560-4. [PMID:18068976]