General Information of the Compound
| Compound ID |
CP0473562
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| Compound Name |
[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(methoxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] [[[(2R,3S,4S,5R,6R)-4-fluoro-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate
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| Structure |
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| Formula |
C16H28FN3O22P4
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| Molecular Weight |
757.293
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| Canonical SMILES |
CONc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](F)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)n1
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| InChI |
InChI=1S/C16H28FN3O22P4/c1-35-19-8-2-3-20(16(26)18-8)14-13(25)11(23)7(37-14)5-36-43(27,28)40-45(31,32)42-46(33,34)41-44(29,30)39-15-12(24)9(17)10(22)6(4-21)38-15/h2-3,6-7,9-15,21-25H,4-5H2,1H3,(H,27,28)(H,29,30)(H,31,32)(H,33,34)(H,18,19,26)/t6-,7-,9+,10-,11-,12-,13-,14-,15-/m1/s1
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| InChIKey |
URJOBJGVBHZRMG-YIPCRTQPSA-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