General Information of the Compound
| Compound ID |
CP0479509
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| Compound Name |
1-[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]-2-chloroethanone
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| Structure |
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| Formula |
C19H19Cl3N2O
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| Molecular Weight |
397.733
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| Canonical SMILES |
ClCC(=O)N1CCN(CC1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C19H19Cl3N2O/c20-13-18(25)23-9-11-24(12-10-23)19(14-1-5-16(21)6-2-14)15-3-7-17(22)8-4-15/h1-8,19H,9-13H2
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| InChIKey |
VDANZSQTWKKLOV-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