General Information of the Compound
| Compound ID |
CP0893657
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| Compound Name |
4-Methyl-N-{[2-(2-methylpropyl)-1,2,3,4-tetrahydro-1-isoquinolinyl]methyl}benzamide
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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 |
Cc1ccc(C(=O)NCC2c3ccccc3CCN2CC(C)C)cc1
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| InChI |
InChI=1S/C22H28N2O/c1-16(2)15-24-13-12-18-6-4-5-7-20(18)21(24)14-23-22(25)19-10-8-17(3)9-11-19/h4-11,16,21H,12-15H2,1-3H3,(H,23,25)
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| InChIKey |
RMVRRMAGWIHRBV-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