General Information of the Compound
| Compound ID |
CP0503528
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| Compound Name |
5-(4-cyclopropylbutyl)-2-(difluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
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| Structure |
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| Formula |
C15H16F2N2O3
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| Molecular Weight |
310.3
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| Canonical SMILES |
FC(F)c1nc2oc(=O)cc(CCCCC3CC3)c2c(=O)[nH]1
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| InChI |
InChI=1S/C15H16F2N2O3/c16-12(17)13-18-14(21)11-9(4-2-1-3-8-5-6-8)7-10(20)22-15(11)19-13/h7-8,12H,1-6H2,(H,18,19,21)
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| InChIKey |
LEDFDZPKDTWQAN-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