General Information of the Compound
| Compound ID |
CP0562604
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| Compound Name |
[[(2R,3S,4R,5R)-5-[(4E)-3-ethyl-2-oxo-4-phenylmethoxyiminopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
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| Structure |
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| Formula |
C19H27N3O11P2
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| Molecular Weight |
535.383
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| Canonical SMILES |
CCn1c(=O)n(cc\c1=N/OCc1ccccc1)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O
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| InChI |
InChI=1S/C19H27N3O11P2/c1-2-21-15(20-31-10-13-6-4-3-5-7-13)8-9-22(19(21)25)18-17(24)16(23)14(33-18)11-32-35(29,30)12-34(26,27)28/h3-9,14,16-18,23-24H,2,10-12H2,1H3,(H,29,30)(H2,26,27,28)/b20-15+/t14-,16-,17-,18-/m1/s1
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| InChIKey |
RJYKQDCXOUSUAW-WCNVUMMFSA-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