General Information of the Compound
| Compound ID |
CP0435239
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| Compound Name |
cyclohexyl-[[4-[(3,4-dichlorobenzoyl)amino]phenyl]methyl]-dimethylazanium
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| Structure |
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| Formula |
C22H27Cl2N2O+
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| Molecular Weight |
406.377
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| Canonical SMILES |
C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCCCC1
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| InChI |
InChI=1S/C22H26Cl2N2O/c1-26(2,19-6-4-3-5-7-19)15-16-8-11-18(12-9-16)25-22(27)17-10-13-20(23)21(24)14-17/h8-14,19H,3-7,15H2,1-2H3/p+1
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| InChIKey |
QTXGQZHSSQGLLW-UHFFFAOYSA-O
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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