4F-MT-45   Click here for help

GtoPdb Ligand ID: 10727

Compound class: Synthetic organic
Comment: μ-opioid receptor agonist.
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2D Structure
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Physico-chemical Properties
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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
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Canonical SMILES Fc1ccc(cc1)C(N1CCN(CC1)C1CCCCC1)Cc1ccccc1
Isomeric SMILES Fc1ccc(cc1)C(N1CCN(CC1)C1CCCCC1)Cc1ccccc1
InChI InChI=1S/C24H31FN2/c25-22-13-11-21(12-14-22)24(19-20-7-3-1-4-8-20)27-17-15-26(16-18-27)23-9-5-2-6-10-23/h1,3-4,7-8,11-14,23-24H,2,5-6,9-10,15-19H2
InChI Key AGKZEOCNYCHVLW-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-cyclohexyl-4-[1-(4-fluorophenyl)-2-phenylethyl]piperazine
Database Links Click here for help
GtoPdb PubChem SID 405067320
PubChem CID 132990963
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