General Information of the Compound
| Compound ID |
CP0460275
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| Compound Name |
[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [[[(2S,3R,4R,5S)-5-ethyl-3,4,5-trihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate
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| Structure |
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| Formula |
C16H28N2O22P4
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| Molecular Weight |
724.288
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| Canonical SMILES |
CC[C@]1(O)O[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1O
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| InChI |
InChI=1S/C16H28N2O22P4/c1-2-16(25)13(23)11(21)8(37-16)6-35-42(28,29)39-44(32,33)40-43(30,31)38-41(26,27)34-5-7-10(20)12(22)14(36-7)18-4-3-9(19)17-15(18)24/h3-4,7-8,10-14,20-23,25H,2,5-6H2,1H3,(H,26,27)(H,28,29)(H,30,31)(H,32,33)(H,17,19,24)/t7-,8+,10-,11+,12-,13-,14-,16+/m1/s1
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| InChIKey |
IRHOAYPWMKMNPQ-MLTZJJJHSA-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