General Information of the Compound
| Compound ID |
CP0569256
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| Compound Name |
[(2R,3S,4R,5R)-5-[2-chloro-6-(2-phenylethylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethylphosphonic acid
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| Structure |
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| Formula |
C19H23ClN5O7P
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| Molecular Weight |
499.848
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| Canonical SMILES |
O[C@@H]1[C@@H](COCP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(NCCc3ccccc3)nc(Cl)nc12
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| InChI |
InChI=1S/C19H23ClN5O7P/c20-19-23-16(21-7-6-11-4-2-1-3-5-11)13-17(24-19)25(9-22-13)18-15(27)14(26)12(32-18)8-31-10-33(28,29)30/h1-5,9,12,14-15,18,26-27H,6-8,10H2,(H,21,23,24)(H2,28,29,30)/t12-,14-,15-,18-/m1/s1
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| InChIKey |
NIMVMAVQALRACJ-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