General Information of the Compound
| Compound ID |
CP0866024
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| Compound Name |
N-{[2-(2-Chloroethyl)-1,2,3,4-tetrahydro-1-isoquinolinyl]methyl}-4-methylbenzamide
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| Structure |
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| Formula |
C20H23ClN2O
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| Molecular Weight |
342.87
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| Canonical SMILES |
Cc1ccc(C(=O)NCC2c3ccccc3CCN2CCCl)cc1
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| InChI |
InChI=1S/C20H23ClN2O/c1-15-6-8-17(9-7-15)20(24)22-14-19-18-5-3-2-4-16(18)10-12-23(19)13-11-21/h2-9,19H,10-14H2,1H3,(H,22,24)
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| InChIKey |
MYZICIOFVNMBGU-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