General Information of the Compound
| Compound ID |
CP0514293
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| Compound Name |
[(2R,3S,4R,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydroxyphosphinothioyl hydrogen phosphate
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| Structure |
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| Formula |
C9H13BrN2O11P2S
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| Molecular Weight |
499.125
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| Canonical SMILES |
O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(S)=O)n1cc(Br)c(=O)[nH]c1=O
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| InChI |
InChI=1S/C9H13BrN2O11P2S/c10-3-1-12(9(16)11-7(3)15)8-6(14)5(13)4(22-8)2-21-24(17,18)23-25(19,20)26/h1,4-6,8,13-14H,2H2,(H,17,18)(H,11,15,16)(H2,19,20,26)/t4-,5-,6-,8-/m1/s1
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| InChIKey |
MEBXTKQESBATGQ-UAKXSSHOSA-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