General Information of the Compound
| Compound ID |
CP0072006
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| Compound Name |
6-(3,4-dichlorophenyl)-5-fluoropyrimidine-4-carboxylic acid
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| Structure |
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| Formula |
C11H5Cl2FN2O2
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| Molecular Weight |
287.077
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| Canonical SMILES |
OC(=O)c1ncnc(c1F)-c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C11H5Cl2FN2O2/c12-6-2-1-5(3-7(6)13)9-8(14)10(11(17)18)16-4-15-9/h1-4H,(H,17,18)
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| InChIKey |
JDAHHGAIIWSSEX-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