RS 67333   

GtoPdb Ligand ID: 237

Synonyms: RS-67333 | RS67, 333 [1] | RS67333
Compound class: Synthetic organic
Comment: RS 67333 is a partial agonist of the 5-HT4 receptor [1].
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 55.56
Molecular weight 352.19
XLogP 3.75
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CCCCN1CCC(CC1)CCC(=O)c1cc(Cl)c(cc1OC)N
Isomeric SMILES CCCCN1CCC(CC1)CCC(=O)c1cc(Cl)c(cc1OC)N
InChI InChI=1S/C19H29ClN2O2/c1-3-4-9-22-10-7-14(8-11-22)5-6-18(23)15-12-16(20)17(21)13-19(15)24-2/h12-14H,3-11,21H2,1-2H3
InChI Key JBHLYIVFFLNISJ-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
1-(4-amino-5-chloro-2-methoxyphenyl)-3-(1-butylpiperidin-4-yl)propan-1-one
Synonyms
RS-67333 | RS67, 333 [1] | RS67333
Database Links
CAS Registry No. 160845-95-4 (source: Scifinder)
ChEMBL Ligand CHEMBL85251
GtoPdb PubChem SID 135650947
PubChem CID 183782
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