senicapoc   Click here for help

GtoPdb Ligand ID: 2331

Synonyms: ICA-17043
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 43.09
Molecular weight 323.11
XLogP 4.87
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Fc1ccc(cc1)C(c1ccc(cc1)F)(c1ccccc1)C(=O)N
Isomeric SMILES Fc1ccc(cc1)C(c1ccc(cc1)F)(c1ccccc1)C(=O)N
InChI InChI=1S/C20H15F2NO/c21-17-10-6-15(7-11-17)20(19(23)24,14-4-2-1-3-5-14)16-8-12-18(22)13-9-16/h1-13H,(H2,23,24)
InChI Key SCTZUZTYRMOMKT-UHFFFAOYSA-N
References
1. Stocker JW, De Franceschi L, McNaughton-Smith GA, Corrocher R, Beuzard Y, Brugnara C. (2003)
ICA-17043, a novel Gardos channel blocker, prevents sickled red blood cell dehydration in vitro and in vivo in SAD mice.
Blood, 101 (6): 2412-8. [PMID:12433690]