2F-MT-45   Click here for help

GtoPdb Ligand ID: 10725

Compound class: Synthetic organic
Comment: μ-opioid receptor agonist.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 6.48
Molecular weight 366.25
XLogP 5.38
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES Fc1ccccc1C(N1CCN(CC1)C1CCCCC1)Cc1ccccc1
Isomeric SMILES Fc1ccccc1C(N1CCN(CC1)C1CCCCC1)Cc1ccccc1
InChI InChI=1S/C24H31FN2/c25-23-14-8-7-13-22(23)24(19-20-9-3-1-4-10-20)27-17-15-26(16-18-27)21-11-5-2-6-12-21/h1,3-4,7-10,13-14,21,24H,2,5-6,11-12,15-19H2
InChI Key BZESPHAKQKJBSM-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-cyclohexyl-4-[1-(2-fluorophenyl)-2-phenylethyl]piperazine
Database Links Click here for help
GtoPdb PubChem SID 405067318
PubChem CID 132990975
Search Google for chemical match using the InChIKey BZESPHAKQKJBSM-UHFFFAOYSA-N
Search Google for chemicals with the same backbone BZESPHAKQKJBSM
Search UniChem for chemical match using the InChIKey BZESPHAKQKJBSM-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone BZESPHAKQKJBSM