General Information of the Compound
| Compound ID |
CP0568942
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| Compound Name |
[(2R,3S,4R,5R)-5-[2-chloro-6-[2-(2-fluorophenyl)ethylamino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethylphosphonic acid
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| Structure |
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| Formula |
C19H22ClFN5O7P
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| Molecular Weight |
517.838
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| Canonical SMILES |
O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COCP(O)(O)=O)n1cnc2c(NCCc3ccccc3F)nc(Cl)nc12
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| InChI |
InChI=1S/C19H22ClFN5O7P/c20-19-24-16(22-6-5-10-3-1-2-4-11(10)21)13-17(25-19)26(8-23-13)18-15(28)14(27)12(33-18)7-32-9-34(29,30)31/h1-4,8,12,14-15,18,27-28H,5-7,9H2,(H,22,24,25)(H2,29,30,31)/t12-,14-,15-,18-/m1/s1
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| InChIKey |
OYMNAJAXOYEEEA-SCFUHWHPSA-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