General Information of the Compound
| Compound ID |
CP0453923
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| Compound Name |
2-bicyclo[2.2.1]heptanyl-[[4-[(3,4-dichlorobenzoyl)amino]phenyl]methyl]-dimethylazanium
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| Structure |
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| Formula |
C23H27Cl2N2O+
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| Molecular Weight |
418.388
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| Canonical SMILES |
C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CC2CCC1C2
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| InChI |
InChI=1S/C23H26Cl2N2O/c1-27(2,22-12-16-3-6-17(22)11-16)14-15-4-8-19(9-5-15)26-23(28)18-7-10-20(24)21(25)13-18/h4-5,7-10,13,16-17,22H,3,6,11-12,14H2,1-2H3/p+1
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| InChIKey |
USMUDLPXXBPJQV-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