General Information of the Compound
| Compound ID |
CP0439412
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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-[[(2R,3S,4R)-3,4,6-trihydroxyoxan-2-yl]methoxy]phosphoryl]oxyphosphoryl] hydrogen phosphate
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| Structure |
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| Formula |
C15H26N2O22P4
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| Molecular Weight |
710.261
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| Canonical SMILES |
O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2OC(O)C[C@@H](O)[C@@H]2O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O
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| InChI |
InChI=1S/C15H26N2O22P4/c18-6-3-10(20)35-7(11(6)21)4-33-40(25,26)37-42(29,30)39-43(31,32)38-41(27,28)34-5-8-12(22)13(23)14(36-8)17-2-1-9(19)16-15(17)24/h1-2,6-8,10-14,18,20-23H,3-5H2,(H,25,26)(H,27,28)(H,29,30)(H,31,32)(H,16,19,24)/t6-,7-,8-,10?,11+,12-,13-,14-/m1/s1
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| InChIKey |
HBRQZJDFQWHINU-SELJRJPRSA-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