General Information of the Compound
| Compound ID |
CP0433553
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| Compound Name |
bis[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(5-methoxy-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate
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| Structure |
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| Formula |
C20H29N4O22P3
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| Molecular Weight |
770.38
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| Canonical SMILES |
COc1cn([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cc(OC)c(=O)[nH]c3=O)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O
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| InChI |
InChI=1S/C20H29N4O22P3/c1-39-7-3-23(19(31)21-15(7)29)17-13(27)11(25)9(43-17)5-41-47(33,34)45-49(37,38)46-48(35,36)42-6-10-12(26)14(28)18(44-10)24-4-8(40-2)16(30)22-20(24)32/h3-4,9-14,17-18,25-28H,5-6H2,1-2H3,(H,33,34)(H,35,36)(H,37,38)(H,21,29,31)(H,22,30,32)/t9-,10-,11-,12-,13-,14-,17-,18-/m1/s1
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| InChIKey |
OIQNHQYHXLYPKB-WATVCZEXSA-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