General Information of the Compound
| Compound ID |
CP0390702
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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-(3-nitrophenoxy)phosphoryl]oxyphosphoryl] hydrogen phosphate
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| Structure |
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| Formula |
C15H19N3O20P4
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| Molecular Weight |
685.214
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| Canonical SMILES |
O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)Oc1cccc(c1)[N+]([O-])=O)n1ccc(=O)[nH]c1=O
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| InChI |
InChI=1S/C15H19N3O20P4/c19-11-4-5-17(15(22)16-11)14-13(21)12(20)10(34-14)7-33-39(25,26)36-41(29,30)38-42(31,32)37-40(27,28)35-9-3-1-2-8(6-9)18(23)24/h1-6,10,12-14,20-21H,7H2,(H,25,26)(H,27,28)(H,29,30)(H,31,32)(H,16,19,22)/t10-,12-,13-,14-/m1/s1
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| InChIKey |
YQIPYVWBJKTEKU-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
Protein ID: PT04714, P2Y purinoceptor 2
Protein ID: PT05219, P2Y purinoceptor 4