compound rac-16 [PMID: 15603962]

Ligand id: 2333

Name: compound rac-16 [PMID: 15603962]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 52.6
Molecular weight 386.05
XLogP 3.48
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Mauler F, Hinz V, Horváth E, Schuhmacher J, Hofmann HA, Wirtz S, Hahn MG, Urbahns K. (2004)
Selective intermediate-/small-conductance calcium-activated potassium channel (KCNN4) blockers are potent and effective therapeutics in experimental brain oedema and traumatic brain injury caused by acute subdural haematoma.
Eur. J. Neurosci., 20 (7): 1761-8. [PMID:15379997]
2. Urbahns K, Goldmann S, Krüger J, Horváth E, Schuhmacher J, Grosser R, Hinz V, Mauler F. (2005)
IKCa-channel blockers. Part 2: discovery of cyclohexadienes.
Bioorg. Med. Chem. Lett., 15 (2): 401-4. [PMID:15603962]