General Information of the Compound
| Compound ID |
CP0547926
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| Compound Name |
5-(4,4,4-trifluorobutyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
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| Structure |
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| Formula |
C11H9F3N2O4
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| Molecular Weight |
290.197
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| Canonical SMILES |
FC(F)(F)CCCc1cc(=O)oc2[nH]c(=O)[nH]c(=O)c12
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| InChI |
InChI=1S/C11H9F3N2O4/c12-11(13,14)3-1-2-5-4-6(17)20-9-7(5)8(18)15-10(19)16-9/h4H,1-3H2,(H2,15,16,18,19)
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| InChIKey |
ILLUIXJSXBXIMU-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