MT-45   Click here for help

GtoPdb Ligand ID: 10724

Synonyms: CDEP | IC-6 | MT45 | NSC 299236
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 348.26
XLogP 5.21
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES C1CCC(CC1)N1CCN(CC1)C(c1ccccc1)Cc1ccccc1
Isomeric SMILES C1CCC(CC1)N1CCN(CC1)C(c1ccccc1)Cc1ccccc1
InChI InChI=1S/C24H32N2/c1-4-10-21(11-5-1)20-24(22-12-6-2-7-13-22)26-18-16-25(17-19-26)23-14-8-3-9-15-23/h1-2,4-7,10-13,23-24H,3,8-9,14-20H2
InChI Key IGBRRSIHEGCUEN-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-cyclohexyl-4-[1,2-di(phenyl)ethyl]piperazine
Synonyms Click here for help
CDEP | IC-6 | MT45 | NSC 299236
Database Links Click here for help
CAS Registry No. 52694-55-0
GtoPdb PubChem SID 405067317
PubChem CID 431865
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