General Information of the Compound
| Compound ID |
CP0053976
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| Compound Name |
N-octyl-2,4-dioxo-5-(trifluoromethyl)pyrimidine-1-carboxamide
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| Structure |
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| Formula |
C14H20F3N3O3
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| Molecular Weight |
335.326
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| Canonical SMILES |
CCCCCCCCNC(=O)n1cc(c(=O)[nH]c1=O)C(F)(F)F
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| InChI |
InChI=1S/C14H20F3N3O3/c1-2-3-4-5-6-7-8-18-12(22)20-9-10(14(15,16)17)11(21)19-13(20)23/h9H,2-8H2,1H3,(H,18,22)(H,19,21,23)
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| InChIKey |
WHQYZSQAVZUYNA-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