General Information of the Compound
| Compound ID |
CP0454921
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| Compound Name |
cycloheptyl-[[4-[(3,4-dichlorobenzoyl)amino]phenyl]methyl]-dimethylazanium
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| Structure |
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| Formula |
C23H29Cl2N2O+
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| Molecular Weight |
420.404
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| Canonical SMILES |
C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCCCCC1
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| InChI |
InChI=1S/C23H28Cl2N2O/c1-27(2,20-7-5-3-4-6-8-20)16-17-9-12-19(13-10-17)26-23(28)18-11-14-21(24)22(25)15-18/h9-15,20H,3-8,16H2,1-2H3/p+1
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| InChIKey |
KYWNWSUQILVVPX-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