General Information of the Compound
| Compound ID |
CP0378990
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| Compound Name |
diethyl 2-[(2,4,6-trichlorophenyl)hydrazinylidene]propanedioate
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| Structure |
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| Formula |
C13H13Cl3N2O4
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| Molecular Weight |
367.616
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| Canonical SMILES |
CCOC(=O)C(=NNc1c(Cl)cc(Cl)cc1Cl)C(=O)OCC
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| InChI |
InChI=1S/C13H13Cl3N2O4/c1-3-21-12(19)11(13(20)22-4-2)18-17-10-8(15)5-7(14)6-9(10)16/h5-6,17H,3-4H2,1-2H3
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| InChIKey |
KINMIXKDAYOZSB-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