General Information of the Compound
| Compound ID |
CP0861341
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| Compound Name |
N-[(2-Butyl-1,2,3,4-tetrahydro-1-isoquinolinyl)methyl]-4-methylbenzamide
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| Structure |
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| Formula |
C22H28N2O
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| Molecular Weight |
336.479
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| Canonical SMILES |
CCCCN1CCc2ccccc2C1CNC(=O)c1ccc(C)cc1
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| InChI |
InChI=1S/C22H28N2O/c1-3-4-14-24-15-13-18-7-5-6-8-20(18)21(24)16-23-22(25)19-11-9-17(2)10-12-19/h5-12,21H,3-4,13-16H2,1-2H3,(H,23,25)
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| InChIKey |
QWHOGERPITUZKI-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: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor