General Information of the Compound
| Compound ID |
CP0529794
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| Compound Name |
[(2R,3R,4R,5S)-2-(2,4-dioxopyrimidin-1-yl)-4-[[(2R,3S,4R,5R,6R)-3-hydroxy-6-(hydroxymethyl)-4,5-diphosphonooxyoxan-2-yl]methyl]-5-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
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| Structure |
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| Formula |
C16H27N2O19P3
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| Molecular Weight |
644.309
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| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](OP(O)(O)=O)[C@@H]1C[C@H]1O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1O)n1ccc(=O)[nH]c1=O
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| InChI |
InChI=1S/C16H27N2O19P3/c19-4-8-6(12(35-38(24,25)26)15(34-8)18-2-1-10(21)17-16(18)23)3-7-11(22)14(37-40(30,31)32)13(9(5-20)33-7)36-39(27,28)29/h1-2,6-9,11-15,19-20,22H,3-5H2,(H,17,21,23)(H2,24,25,26)(H2,27,28,29)(H2,30,31,32)/t6-,7-,8-,9-,11+,12-,13-,14-,15-/m1/s1
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| InChIKey |
VLNATXKWLCLMJR-FENVYNBFSA-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