General Information of the Compound
| Compound ID |
CP0438232
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| Compound Name |
[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [hydroxy-[hydroxy(phenoxy)phosphoryl]oxyphosphoryl] hydrogen phosphate
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| Structure |
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| Formula |
C15H20N2O18P4
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| Molecular Weight |
640.217
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| Canonical SMILES |
O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)Oc2ccccc2)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O
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| InChI |
InChI=1S/C15H20N2O18P4/c18-11-6-7-17(15(21)16-11)14-13(20)12(19)10(31-14)8-30-36(22,23)33-38(26,27)35-39(28,29)34-37(24,25)32-9-4-2-1-3-5-9/h1-7,10,12-14,19-20H,8H2,(H,22,23)(H,24,25)(H,26,27)(H,28,29)(H,16,18,21)/t10-,12-,13-,14-/m1/s1
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| InChIKey |
XACAXTUDTIBBSW-FMKGYKFTSA-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