General Information of the Compound
| Compound ID |
CP0132480
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| Compound Name |
6-(3,4-dichlorophenyl)-5-methoxypyrimidine-4-carboxylic acid
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| Structure |
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| Formula |
C12H8Cl2N2O3
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| Molecular Weight |
299.113
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| Canonical SMILES |
COc1c(ncnc1-c1ccc(Cl)c(Cl)c1)C(O)=O
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| InChI |
InChI=1S/C12H8Cl2N2O3/c1-19-11-9(15-5-16-10(11)12(17)18)6-2-3-7(13)8(14)4-6/h2-5H,1H3,(H,17,18)
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| InChIKey |
UBANKNZKCYCNCY-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