General Information of the Compound
| Compound ID |
CP0944700
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| Compound Name |
methyl 6-((2,4-dichlorophenoxy)methyl)pyrazine-2-carboxylate
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| Structure |
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| Formula |
C13H10Cl2N2O3
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| Molecular Weight |
313.14
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| Canonical SMILES |
COC(=O)c1cncc(COc2ccc(Cl)cc2Cl)n1
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| InChI |
InChI=1S/C13H10Cl2N2O3/c1-19-13(18)11-6-16-5-9(17-11)7-20-12-3-2-8(14)4-10(12)15/h2-6H,7H2,1H3
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| InChIKey |
DAGPPKBHOWTHDZ-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