RS 39604   Click here for help

GtoPdb Ligand ID: 254

Synonyms: RS-23597-190  | RS-39640
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 64.79
Molecular weight 326.14
XLogP 2.75
No. Lipinski's rules broken 0
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Canonical SMILES COc1cc(N)c(cc1C(=O)OCCCN1CCCCC1)Cl
Isomeric SMILES COc1cc(N)c(cc1C(=O)OCCCN1CCCCC1)Cl
InChI InChI=1S/C16H23ClN2O3/c1-21-15-11-14(18)13(17)10-12(15)16(20)22-9-5-8-19-6-3-2-4-7-19/h10-11H,2-9,18H2,1H3
1. Mialet J, Berque-Bestel I, Eftekhari P, Gastineau M, Giner M, Dahmoune Y, Donzeau-Gouge P, Hoebeke J, Langlois M, Sicsic S et al.. (2000)
Isolation of the serotoninergic 5-HT4(e) receptor from human heart and comparative analysis of its pharmacological profile in C6-glial and CHO cell lines.
Br J Pharmacol, 129 (4): 771-81. [PMID:10683202]
2. Mialet J, Berque-Bestel I, Sicsic S, Langlois M, Fischmeister R, Lezoualc'h F. (2000)
Pharmacological characterization of the human 5-HT(4(d)) receptor splice variant stably expressed in Chinese hamster ovary cells.
Br J Pharmacol, 131 (4): 827-35. [PMID:11030734]
3. Rivail L, Giner M, Gastineau M, Berthouze M, Soulier JL, Fischmeister R, Lezoualc'h F, Maigret B, Sicsic S, Berque-Bestel I. (2004)
New insights into the human 5-HT4 receptor binding site: exploration of a hydrophobic pocket.
Br J Pharmacol, 143 (3): 361-70. [PMID:15351779]