General Information of the Compound
| Compound ID |
CP0873905
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| Compound Name |
(S)-3-amino-4-(((2R,3S,5R)-5-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-hydroxytetrahydrofuran-2-yl)methoxy)-4-oxobutanoic acid
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| Structure |
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| Formula |
C13H16FN3O8
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| Molecular Weight |
361.282
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| Canonical SMILES |
N[C@@H](CC(=O)O)C(=O)OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1O
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| InChI |
InChI=1S/C13H16FN3O8/c14-5-3-17(13(23)16-11(5)21)9-2-7(18)8(25-9)4-24-12(22)6(15)1-10(19)20/h3,6-9,18H,1-2,4,15H2,(H,19,20)(H,16,21,23)/t6-,7-,8+,9+/m0/s1
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| InChIKey |
DEMJKVUJSKHPIJ-RBXMUDONSA-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