General Information of the Compound
| Compound ID |
CP0506039
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| Compound Name |
2-(difluoro(phenyl)methyl)-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
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| Structure |
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| Formula |
C16H12F2N2O3
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| Molecular Weight |
318.279
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| Canonical SMILES |
CCc1cc(=O)oc2nc([nH]c(=O)c12)C(F)(F)c1ccccc1
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| InChI |
InChI=1S/C16H12F2N2O3/c1-2-9-8-11(21)23-14-12(9)13(22)19-15(20-14)16(17,18)10-6-4-3-5-7-10/h3-8H,2H2,1H3,(H,19,20,22)
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| InChIKey |
WMBGEHGMRAXOEY-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