General Information of the Compound
| Compound ID |
CP0384101
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| Compound Name |
2,2,2-trifluoroethyl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
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| Structure |
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| Formula |
C12H11F3N2O4
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| Molecular Weight |
304.224
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| Canonical SMILES |
CC1=C(C(NC(=O)N1)c1ccco1)C(=O)OCC(F)(F)F
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| InChI |
InChI=1S/C12H11F3N2O4/c1-6-8(10(18)21-5-12(13,14)15)9(17-11(19)16-6)7-3-2-4-20-7/h2-4,9H,5H2,1H3,(H2,16,17,19)
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| InChIKey |
BDMVUGLUNORBMC-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