General Information of the Compound
| Compound ID |
CP0487207
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| Compound Name |
[[(2R,3S,4R,5R)-5-[4-[3-(4-fluorophenyl)propoxyamino]-2-oxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
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| Structure |
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| Formula |
C18H25FN3O15P3
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| Molecular Weight |
635.324
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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\OCCCc2ccc(F)cc2)[nH]c1=O
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| InChI |
InChI=1S/C18H25FN3O15P3/c19-12-5-3-11(4-6-12)2-1-9-33-21-14-7-8-22(18(25)20-14)17-16(24)15(23)13(35-17)10-34-39(29,30)37-40(31,32)36-38(26,27)28/h3-8,13,15-17,23-24H,1-2,9-10H2,(H,29,30)(H,31,32)(H,20,21,25)(H2,26,27,28)/t13-,15-,16-,17-/m1/s1
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| InChIKey |
CHNFEKRMOKHRTP-MWQQHZPXSA-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