General Information of the Compound
| Compound ID |
CP0541084
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| Compound Name |
[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-oxo-2-sulfanylidenepyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] ethyl hydrogen phosphate
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| Structure |
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| Formula |
C11H18N2O11P2S
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| Molecular Weight |
448.283
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| Canonical SMILES |
CCOP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=S
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| InChI |
InChI=1S/C11H18N2O11P2S/c1-2-21-25(17,18)24-26(19,20)22-5-6-8(15)9(16)10(23-6)13-4-3-7(14)12-11(13)27/h3-4,6,8-10,15-16H,2,5H2,1H3,(H,17,18)(H,19,20)(H,12,14,27)/t6-,8-,9-,10-/m1/s1
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| InChIKey |
PSAFLSKQZCIAOS-PEBGCTIMSA-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