S 16924   

GtoPdb Ligand ID: 167

Synonyms: S-16924
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 7
Topological polar surface area 48
Molecular weight 385.17
XLogP 3.2
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES Fc1ccc(cc1)C(=O)CC1CCN(C1)CCOc1cccc2c1OCCO2
Isomeric SMILES Fc1ccc(cc1)C(=O)CC1CCN(C1)CCOc1cccc2c1OCCO2
InChI InChI=1S/C22H24FNO4/c23-18-6-4-17(5-7-18)19(25)14-16-8-9-24(15-16)10-11-26-20-2-1-3-21-22(20)28-13-12-27-21/h1-7,16H,8-15H2
InChI Key DXBFVLGYPFUTEZ-UHFFFAOYSA-N
References
1. Millan MJ, Gobert A, Newman-Tancredi A, Audinot V, Lejeune F, Rivet JM, Cussac D, Nicolas JP, Muller O, Lavielle G. (1998)
S 16924 ((R)-2-[1-[2-(2,3-dihydro-benzo[1,4] dioxin-5-Yloxy)-ethyl]-pyrrolidin-3yl]-1-(4-fluoro-phenyl)-ethanone), a novel, potential antipsychotic with marked serotonin (5-HT)1A agonist properties: I. Receptorial and neurochemical profile in comparison with clozapine and haloperidol.
J. Pharmacol. Exp. Ther., 286 (3): 1341-55. [PMID:9732398]