General Information of the Compound
| Compound ID |
CP0846184
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| Compound Name |
(S)-((2R,3S,5R)-5-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-hydroxytetrahydrofuran-2-yl)methyl 2-amino-3-methylbutanoate
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| Structure |
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| Formula |
C14H20FN3O6
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| Molecular Weight |
345.327
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| Canonical SMILES |
CC(C)[C@H](N)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/C14H20FN3O6/c1-6(2)11(16)13(21)23-5-9-8(19)3-10(24-9)18-4-7(15)12(20)17-14(18)22/h4,6,8-11,19H,3,5,16H2,1-2H3,(H,17,20,22)/t8-,9+,10+,11-/m0/s1
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| InChIKey |
IBFDWUGEQRCTOQ-ZDCRXTMVSA-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