General Information of the Compound
| Compound ID |
CP0861339
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| Compound Name |
4-Ethyl-N-[(2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl)methyl]benzamide
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| Structure |
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| Formula |
C20H24N2O
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| Molecular Weight |
308.425
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| Canonical SMILES |
CCc1ccc(C(=O)NCC2c3ccccc3CCN2C)cc1
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| InChI |
InChI=1S/C20H24N2O/c1-3-15-8-10-17(11-9-15)20(23)21-14-19-18-7-5-4-6-16(18)12-13-22(19)2/h4-11,19H,3,12-14H2,1-2H3,(H,21,23)
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| InChIKey |
RGAQWGCPPCLXIL-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: PT01200, Delta-type opioid receptor
Protein ID: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor