General Information of the Compound
| Compound ID |
CP0515397
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| Compound Name |
[2,3-dihydroxypropoxy(hydroxy)phosphoryl] [[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate
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| Structure |
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| Formula |
C12H22N2O20P4
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| Molecular Weight |
638.198
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| Canonical SMILES |
OCC(O)COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O
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| InChI |
InChI=1S/C12H22N2O20P4/c15-3-6(16)4-29-35(21,22)32-37(25,26)34-38(27,28)33-36(23,24)30-5-7-9(18)10(19)11(31-7)14-2-1-8(17)13-12(14)20/h1-2,6-7,9-11,15-16,18-19H,3-5H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28)(H,13,17,20)/t6?,7-,9-,10-,11-/m1/s1
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| InChIKey |
OSWBYGPIMIOTRO-JANFQQFMSA-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