General Information of the Compound
| Compound ID |
CP0412775
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| Compound Name |
[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-oxo-4-(3-pyridin-4-ylpropoxyamino)pyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
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| Structure |
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| Formula |
C17H25N4O15P3
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| Molecular Weight |
618.322
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| Canonical SMILES |
O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCCCc2ccncc2)[nH]c1=O
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| InChI |
InChI=1S/C17H25N4O15P3/c22-14-12(10-33-38(28,29)36-39(30,31)35-37(25,26)27)34-16(15(14)23)21-8-5-13(19-17(21)24)20-32-9-1-2-11-3-6-18-7-4-11/h3-8,12,14-16,22-23H,1-2,9-10H2,(H,28,29)(H,30,31)(H,19,20,24)(H2,25,26,27)/t12-,14-,15-,16-/m1/s1
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| InChIKey |
GDYLVBZFJDZQBP-DTZQCDIJSA-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