General Information of the Compound
| Compound ID |
CP0421612
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| Compound Name |
((2R,3S,4R,5R)-3,4-dihydroxy-5-(5-methoxy-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methyl tetrahydrogen triphosphate
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| Structure |
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| Formula |
C10H17N2O16P3
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| Molecular Weight |
514.166
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| Canonical SMILES |
COc1cn([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O
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| InChI |
InChI=1S/C10H17N2O16P3/c1-24-4-2-12(10(16)11-8(4)15)9-7(14)6(13)5(26-9)3-25-30(20,21)28-31(22,23)27-29(17,18)19/h2,5-7,9,13-14H,3H2,1H3,(H,20,21)(H,22,23)(H,11,15,16)(H2,17,18,19)/t5-,6-,7-,9-/m1/s1
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| InChIKey |
ULUMTYRKOVZPNM-JXOAFFINSA-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: PT02796, P2Y purinoceptor 6