Structure

InChI Key VMIZTXDGZPTKIK-UHFFFAOYSA-N
Smile Cl.N#CC(CCN1CCC(C(=O)O)(c2ccccc2)CC1)(c1ccccc1)c1ccccc1
InChI
InChI=1S/C28H28N2O2.ClH/c29-22-28(24-12-6-2-7-13-24,25-14-8-3-9-15-25)18-21-30-19-16-27(17-20-30,26(31)32)23-10-4-1-5-11-23;/h1-15H,16-21H2,(H,31,32);1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H29ClN2O2
Molecular Weight 461.0
AlogP 5.0
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 64.33
Molecular species ZWITTERION
Aromatic Rings 3.0
Heavy Atoms 32.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Mu opioid receptor agonist PubMed Wikipedia Wikipedia

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 59790
ChEMBL CHEMBL1200599
FDA SRS VQZ63K01IW
PubChem 53447387
SureChEMBL SCHEMBL149008