General Information of the Compound
| Compound ID |
CP0509943
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| Compound Name |
5-(2-cyclobutylethyl)-2-(difluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
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| Structure |
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| Formula |
C14H14F2N2O3
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| Molecular Weight |
296.273
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| Canonical SMILES |
FC(F)c1nc2oc(=O)cc(CCC3CCC3)c2c(=O)[nH]1
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| InChI |
InChI=1S/C14H14F2N2O3/c15-11(16)12-17-13(20)10-8(5-4-7-2-1-3-7)6-9(19)21-14(10)18-12/h6-7,11H,1-5H2,(H,17,18,20)
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| InChIKey |
OPOSIEKSZAUDOI-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