General Information of the Compound
| Compound ID |
CP0372615
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| Compound Name |
1-[(2S,4S,5R)-4,5-dihydroxy-3-methylideneoxan-2-yl]-5-fluoropyrimidine-2,4-dione
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| Structure |
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| Formula |
C10H11FN2O5
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| Molecular Weight |
258.205
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| Canonical SMILES |
O[C@@H]1CO[C@@H](C(=C)[C@@H]1O)n1cc(F)c(=O)[nH]c1=O
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| InChI |
InChI=1S/C10H11FN2O5/c1-4-7(15)6(14)3-18-9(4)13-2-5(11)8(16)12-10(13)17/h2,6-7,9,14-15H,1,3H2,(H,12,16,17)/t6-,7+,9+/m1/s1
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| InChIKey |
UXYOZHSRSIIWTB-FJXKBIBVSA-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