General Information of the Compound
| Compound ID |
CP0498667
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| Compound Name |
1-[[5-acetyl-4-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylpyrrole-2,5-dione
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| Structure |
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| Formula |
C12H9F3N4O3
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| Molecular Weight |
314.223
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| Canonical SMILES |
CC(=O)c1cnc(NN2C(=O)C=C(C)C2=O)nc1C(F)(F)F
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| InChI |
InChI=1S/C12H9F3N4O3/c1-5-3-8(21)19(10(5)22)18-11-16-4-7(6(2)20)9(17-11)12(13,14)15/h3-4H,1-2H3,(H,16,17,18)
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| InChIKey |
QKJIHNJOCMAPPE-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