compound 20o [PMID: 22984835]

Ligand id: 5906

Name: compound 20o [PMID: 22984835]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 13
Hydrogen bond donors 2
Rotatable bonds 18
Topological polar surface area 155.41
Molecular weight 637.32
XLogP 2.47
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Zech G, Hessler G, Evers A, Weiss T, Florian P, Just M, Czech J, Czechtizky W, Görlitzer J, Ruf S et al.. (2012)
Identification of high-affinity P2Y₁₂ antagonists based on a phenylpyrazole glutamic acid piperazine backbone.
J. Med. Chem., 55 (20): 8615-29. [PMID:22984835]