General Information of the Compound
| Compound ID |
CP0372614
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| Compound Name |
5-fluoro-1-[(6S)-5-methylidene-2H-pyran-6-yl]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C10H9FN2O3
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| Molecular Weight |
224.191
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| Canonical SMILES |
Fc1cn([C@H]2OCC=CC2=C)c(=O)[nH]c1=O
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| InChI |
InChI=1S/C10H9FN2O3/c1-6-3-2-4-16-9(6)13-5-7(11)8(14)12-10(13)15/h2-3,5,9H,1,4H2,(H,12,14,15)/t9-/m0/s1
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| InChIKey |
VZTRXSLJCSNNPV-VIFPVBQESA-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
Protein ID: PT01883, Thymidylate synthase
Cell Viability or Cytotoxicity Assay