General Information of the Compound
| Compound ID |
CP0120388
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| Compound Name |
6-(3-chloro-4-propan-2-yloxyphenyl)pyrimidine-4-carboxylic acid
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| Structure |
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| Formula |
C14H13ClN2O3
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| Molecular Weight |
292.722
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| Canonical SMILES |
CC(C)Oc1ccc(cc1Cl)-c1cc(ncn1)C(O)=O
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| InChI |
InChI=1S/C14H13ClN2O3/c1-8(2)20-13-4-3-9(5-10(13)15)11-6-12(14(18)19)17-7-16-11/h3-8H,1-2H3,(H,18,19)
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| InChIKey |
WWIJIMDOMQMPAS-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