General Information of the Compound
| Compound ID |
CP0513513
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| Compound Name |
1-[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]propane-1,2-dione
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| Structure |
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| Formula |
C20H20Cl2N2O2
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| Molecular Weight |
391.298
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| Canonical SMILES |
CC(=O)C(=O)N1CCN(CC1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C20H20Cl2N2O2/c1-14(25)20(26)24-12-10-23(11-13-24)19(15-2-6-17(21)7-3-15)16-4-8-18(22)9-5-16/h2-9,19H,10-13H2,1H3
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| InChIKey |
QAJGXQUEUPPMPH-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