Structure

InChI Key SHTAFWKOISOCBI-UHFFFAOYSA-N
Smile CCOC(=O)C1(c2ccccc2)CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1.Cl
InChI
InChI=1S/C30H32N2O2.ClH/c1-2-34-28(33)29(25-12-6-3-7-13-25)18-21-32(22-19-29)23-20-30(24-31,26-14-8-4-9-15-26)27-16-10-5-11-17-27;/h3-17H,2,18-23H2,1H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C30H33ClN2O2
Molecular Weight 489.06
AlogP 5.48
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 8.0
Polar Surface Area 53.33
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 34.0

Pharmacology

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

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 59784
ChEMBL CHEMBL1200665
EPA CompTox DTXSID3047843
FDA SRS W24OD7YW48
PubChem 19650
SureChEMBL SCHEMBL42124