Structure

InChI Key PPKXEPBICJTCRU-UHFFFAOYSA-N
Smiles COc1cccc(C2(O)CCCCC2CN(C)C)c1.Cl
InChI
InChI=1S/C16H25NO2.ClH/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3;/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H26ClNO2
Molecular Weight 299.84
AlogP 2.63
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 32.7
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 19.0

Bioactivity

Mechanism of Action Action Reference
Mu opioid receptor agonist AGONIST FDA
Protein: Mu opioid receptor

Description: Mu-type opioid receptor

Organism : Homo sapiens

P35372 ENSG00000112038

Cross References

Resources Reference
ChEBI 75725
ChEMBL CHEMBL1237065
FDA SRS 9N7R477WCK
PubChem 63013
SureChEMBL SCHEMBL405855
ZINC ZINC00000853