p-F-HHSiD   Click here for help

GtoPdb Ligand ID: 308

Synonyms: p-pluorohexahydrosiladyphenidol | pFHHSiD
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 6
Topological polar surface area 23.47
Molecular weight 349.22
XLogP 5.34
No. Lipinski's rules broken 1
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Canonical SMILES Fc1ccc(cc1)[Si](C1CCCCC1)(CCCN1CCCCC1)O
Isomeric SMILES Fc1ccc(cc1)[Si](C1CCCCC1)(CCCN1CCCCC1)O
InChI InChI=1S/C20H32FNOSi/c21-18-10-12-20(13-11-18)24(23,19-8-3-1-4-9-19)17-7-16-22-14-5-2-6-15-22/h10-13,19,23H,1-9,14-17H2
1. Esqueda EE, Gerstin Jr EH, Griffin MT, Ehlert FJ. (1996)
Stimulation of cyclic AMP accumulation and phosphoinositide hydrolysis by M3 muscarinic receptors in the rat peripheral lung.
Biochem Pharmacol, 52 (4): 643-58. [PMID:8759038]
2. Huang F, Buchwald P, Browne CE, Farag HH, Wu WM, Ji F, Hochhaus G, Bodor N. (2001)
Receptor binding studies of soft anticholinergic agents.
AAPS PharmSci, 3 (4): E30. [PMID:12049493]
3. Kashihara K, Varga EV, Waite SL, Roeske WR, Yamamura HI. (1992)
Cloning of the rat M3, M4 and M5 muscarinic acetylcholine receptor genes by the polymerase chain reaction (PCR) and the pharmacological characterization of the expressed genes.
Life Sci, 51 (12): 955-71. [PMID:1325587]