General Information of the Compound
| Compound ID |
CP0499179
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| Compound Name |
1,3-benzodioxol-5-ylmethyl (4R)-4-(furan-2-yl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate
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| Structure |
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| Formula |
C20H20N2O6
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| Molecular Weight |
384.388
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| Canonical SMILES |
CN1[C@@H](c2ccco2)C(C(=O)OCc2ccc3OCOc3c2)=C(C)N(C)C1=O
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| InChI |
InChI=1S/C20H20N2O6/c1-12-17(18(15-5-4-8-25-15)22(3)20(24)21(12)2)19(23)26-10-13-6-7-14-16(9-13)28-11-27-14/h4-9,18H,10-11H2,1-3H3/t18-/m0/s1
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| InChIKey |
DSXPQSFFKFGQOO-SFHVURJKSA-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