General Information of the Compound
| Compound ID |
CP0441336
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| Compound Name |
5-(3-bi(cycloprop)ylpropyl)-2-(difluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
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| Structure |
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| Formula |
C17H18F2N2O3
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| Molecular Weight |
336.338
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| Canonical SMILES |
FC(F)c1nc2oc(=O)cc(CCCC3(CC3)C3CC3)c2c(=O)[nH]1
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| InChI |
InChI=1S/C17H18F2N2O3/c18-13(19)14-20-15(23)12-9(8-11(22)24-16(12)21-14)2-1-5-17(6-7-17)10-3-4-10/h8,10,13H,1-7H2,(H,20,21,23)
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| InChIKey |
JACYLBDBFSDTMN-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