General Information of the Compound
| Compound ID |
CP0487716
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| Compound Name |
3-[(dimethylamino)methyl]-4-hydroxy-N,4-diphenylpiperidine-1-carboxamide;hydrochloride
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| Formula |
C21H28ClN3O2
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| Molecular Weight |
389.927
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| Canonical SMILES |
Cl.CN(C)CC1CN(CCC1(O)c1ccccc1)C(=O)Nc1ccccc1
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| InChI |
InChI=1S/C21H27N3O2.ClH/c1-23(2)15-18-16-24(20(25)22-19-11-7-4-8-12-19)14-13-21(18,26)17-9-5-3-6-10-17;/h3-12,18,26H,13-16H2,1-2H3,(H,22,25);1H
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| InChIKey |
YLJRWIZOOBCRDZ-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01526, Delta-type opioid receptor
Protein ID: PT00983, Kappa-type opioid receptor
Protein ID: PT01549, Mu-type opioid receptor