General Information of the Compound
| Compound ID |
CP0416970
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| Compound Name |
1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-[(2,3-dichlorophenyl)methyl]methanamine
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| Structure |
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| Formula |
C20H23Cl3N2
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| Molecular Weight |
397.777
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| Canonical SMILES |
Clc1ccccc1CN1CCC(CNCc2cccc(Cl)c2Cl)CC1
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| InChI |
InChI=1S/C20H23Cl3N2/c21-18-6-2-1-4-17(18)14-25-10-8-15(9-11-25)12-24-13-16-5-3-7-19(22)20(16)23/h1-7,15,24H,8-14H2
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| InChIKey |
PWBFGSXZNIRWOA-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