General Information of the Compound
| Compound ID |
CP0171214
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| Compound Name |
6-(3,4-dichlorophenyl)-5-(methoxymethyl)pyrimidine-4-carboxylic acid
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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 |
COCc1c(ncnc1-c1ccc(Cl)c(Cl)c1)C(O)=O
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| InChI |
InChI=1S/C13H10Cl2N2O3/c1-20-5-8-11(16-6-17-12(8)13(18)19)7-2-3-9(14)10(15)4-7/h2-4,6H,5H2,1H3,(H,18,19)
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| InChIKey |
RQYQZLZKGMCHPT-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