General Information of the Compound
Compound ID |
CP0398862
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Compound Name |
5-butyl-2-(difluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
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Structure |
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Formula |
C12H12F2N2O3
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Molecular Weight |
270.235
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Canonical SMILES |
CCCCc1cc(=O)oc2nc([nH]c(=O)c12)C(F)F
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InChI |
InChI=1S/C12H12F2N2O3/c1-2-3-4-6-5-7(17)19-12-8(6)11(18)15-10(16-12)9(13)14/h5,9H,2-4H2,1H3,(H,15,16,18)
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InChIKey |
YYCZNFQDNBAXBU-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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