General Information of the Compound
| Compound ID |
CP0376577
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| Compound Name |
((2R,3S,4R,5R)-5-(2,4-dioxo-3-(2-oxo-2-phenylethyl)-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl trihydrogen diphosphate
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| Synonyms |
3-phenacyl-UDP
phenacyl-UDP
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| Structure |
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| Formula |
C17H20N2O13P2
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| Molecular Weight |
522.296
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| Canonical SMILES |
O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(O)=O)n1ccc(=O)n(CC(=O)c2ccccc2)c1=O
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| InChI |
InChI=1S/C17H20N2O13P2/c20-11(10-4-2-1-3-5-10)8-19-13(21)6-7-18(17(19)24)16-15(23)14(22)12(31-16)9-30-34(28,29)32-33(25,26)27/h1-7,12,14-16,22-23H,8-9H2,(H,28,29)(H2,25,26,27)/t12-,14-,15-,16-/m1/s1
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| InChIKey |
SEUHNFHNNANEAJ-DTZQCDIJSA-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
Protein ID: PT02796, P2Y purinoceptor 6
Clinical Information about the Compound