General Information of the Compound
| Compound ID |
CP0504583
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| Compound Name |
[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4S,5R)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl hydrogen phosphate
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| Structure |
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| Formula |
C15H24N2O17P2
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| Molecular Weight |
566.302
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| Canonical SMILES |
OC[C@@]1(O)O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@@H](O)[C@@H]1O
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| InChI |
InChI=1S/C15H24N2O17P2/c18-5-15(25)12(23)10(21)7(33-15)4-31-36(28,29)34-35(26,27)30-3-6-9(20)11(22)13(32-6)17-2-1-8(19)16-14(17)24/h1-2,6-7,9-13,18,20-23,25H,3-5H2,(H,26,27)(H,28,29)(H,16,19,24)/t6-,7-,9-,10-,11-,12+,13-,15-/m1/s1
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| InChIKey |
XWMUTPRESJRRGT-HWEKWTFHSA-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