General Information of the Compound
| Compound ID |
CP0441701
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| Compound Name |
[[(2R,3S,4R,5R)-5-[4-(ethoxyamino)-2-oxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
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| Structure |
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| Formula |
C11H20N3O15P3
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| Molecular Weight |
527.209
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| Canonical SMILES |
CCONc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)n1
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| InChI |
InChI=1S/C11H20N3O15P3/c1-2-25-13-7-3-4-14(11(17)12-7)10-9(16)8(15)6(27-10)5-26-31(21,22)29-32(23,24)28-30(18,19)20/h3-4,6,8-10,15-16H,2,5H2,1H3,(H,21,22)(H,23,24)(H,12,13,17)(H2,18,19,20)/t6-,8-,9-,10-/m1/s1
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| InChIKey |
NXRKGUXDYPFZFP-PEBGCTIMSA-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