3F-MT-45   Click here for help

GtoPdb Ligand ID: 10726

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 Fc1cccc(c1)C(N1CCN(CC1)C1CCCCC1)Cc1ccccc1
Isomeric SMILES Fc1cccc(c1)C(N1CCN(CC1)C1CCCCC1)Cc1ccccc1
InChI InChI=1S/C24H31FN2/c25-22-11-7-10-21(19-22)24(18-20-8-3-1-4-9-20)27-16-14-26(15-17-27)23-12-5-2-6-13-23/h1,3-4,7-11,19,23-24H,2,5-6,12-18H2
InChI Key CGVHPULMBGGZPI-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-cyclohexyl-4-[1-(3-fluorophenyl)-2-phenylethyl]piperazine
Database Links Click here for help
GtoPdb PubChem SID 405067319
PubChem CID 132990929
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