General Information of the Compound
| Compound ID |
CP0450694
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| Compound Name |
5-Fluoro-1-(3,4-dideoxy-3-fluoro-6-O-trityl-.beta.-D-glycero-hex-3-enopyranos-2-ulosyl) uracil
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| Structure |
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| Formula |
C29H22F2N2O5
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| Molecular Weight |
516.5
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| Canonical SMILES |
FC1=CC(COC(c2ccccc2)(c2ccccc2)c2ccccc2)OC(C1=O)n1cc(F)c(=O)[nH]c1=O
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| InChI |
InChI=1S/C29H22F2N2O5/c30-23-16-22(38-27(25(23)34)33-17-24(31)26(35)32-28(33)36)18-37-29(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-17,22,27H,18H2,(H,32,35,36)
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| InChIKey |
JHTZZJGCWZYBMV-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3