General Information of the Compound
| Compound ID |
CP0498668
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| Compound Name |
ethyl 2-[methyl-(3-methyl-2,5-dioxopyrrol-1-yl)amino]-4-(trifluoromethyl)pyrimidine-5-carboxylate
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| Structure |
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| Formula |
C14H13F3N4O4
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| Molecular Weight |
358.276
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| Canonical SMILES |
CCOC(=O)c1cnc(nc1C(F)(F)F)N(C)N1C(=O)C=C(C)C1=O
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| InChI |
InChI=1S/C14H13F3N4O4/c1-4-25-12(24)8-6-18-13(19-10(8)14(15,16)17)20(3)21-9(22)5-7(2)11(21)23/h5-6H,4H2,1-3H3
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| InChIKey |
IFSMLVGASIQEST-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