AR-M1000390   Click here for help

GtoPdb Ligand ID: 9005

Synonyms: AR-M390 | ARM-390
Compound class: Synthetic organic
Comment: AR-M1000390 is a nonpeptidic δ receptor selective agonist [2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 32.34
Molecular weight 348.22
XLogP 4.23
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCN(C(=O)c1ccc(cc1)C(=C1CCNCC1)c1ccccc1)CC
Isomeric SMILES CCN(C(=O)c1ccc(cc1)C(=C1CCNCC1)c1ccccc1)CC
InChI InChI=1S/C23H28N2O/c1-3-25(4-2)23(26)21-12-10-19(11-13-21)22(18-8-6-5-7-9-18)20-14-16-24-17-15-20/h5-13,24H,3-4,14-17H2,1-2H3
InChI Key SMUGAZNLKPFBSB-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N,N-diethyl-4-(phenyl-piperidin-4-ylidenemethyl)benzamide
Synonyms Click here for help
AR-M390 | ARM-390
Database Links Click here for help
BindingDB Ligand 50092710
ChEMBL Ligand CHEMBL415521
GtoPdb PubChem SID 310264783
PubChem CID 9841259
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