General Information of the Compound
| Compound ID |
CP0190369
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| Compound Name |
N-hexyl-2,4-dioxo-5-(trifluoromethyl)pyrimidine-1-carboxamide
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| Structure |
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| Formula |
C12H16F3N3O3
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| Molecular Weight |
307.272
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| Canonical SMILES |
CCCCCCNC(=O)n1cc(c(=O)[nH]c1=O)C(F)(F)F
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| InChI |
InChI=1S/C12H16F3N3O3/c1-2-3-4-5-6-16-10(20)18-7-8(12(13,14)15)9(19)17-11(18)21/h7H,2-6H2,1H3,(H,16,20)(H,17,19,21)
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| InChIKey |
LLRJQFMAXXADBL-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