General Information of the Compound
| Compound ID |
CP0429088
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| Compound Name |
methyl 2-[2-methylsulfonyl-6-(trifluoromethyl)pyrimidin-4-yl]benzoate
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| Structure |
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| Formula |
C14H11F3N2O4S
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| Molecular Weight |
360.313
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| Canonical SMILES |
COC(=O)c1ccccc1-c1cc(nc(n1)S(C)(=O)=O)C(F)(F)F
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| InChI |
InChI=1S/C14H11F3N2O4S/c1-23-12(20)9-6-4-3-5-8(9)10-7-11(14(15,16)17)19-13(18-10)24(2,21)22/h3-7H,1-2H3
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| InChIKey |
IARSPZQLAVMSOT-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