General Information of the Compound
| Compound ID |
CP0435255
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| Compound Name |
[(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-[(4-nitrophenyl)methoxyamino]-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate
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| Structure |
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| Formula |
C16H20N4O14P2
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| Molecular Weight |
554.298
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| Canonical SMILES |
O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCc2ccc(cc2)[N+]([O-])=O)[nH]c1=O
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| InChI |
InChI=1S/C16H20N4O14P2/c21-13-11(8-32-36(29,30)34-35(26,27)28)33-15(14(13)22)19-6-5-12(17-16(19)23)18-31-7-9-1-3-10(4-2-9)20(24)25/h1-6,11,13-15,21-22H,7-8H2,(H,29,30)(H,17,18,23)(H2,26,27,28)/t11-,13-,14-,15-/m1/s1
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| InChIKey |
HFBYGNURQMHJFJ-NMFUWQPSSA-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