General Information of the Compound
| Compound ID |
CP0569257
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| Compound Name |
[(2R,3S,4R,5R)-5-[2-chloro-6-(pyridin-2-ylmethylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethylphosphonic acid
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| Structure |
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| Formula |
C17H20ClN6O7P
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| Molecular Weight |
486.809
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| Canonical SMILES |
O[C@@H]1[C@@H](COCP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(NCc3ccccn3)nc(Cl)nc12
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| InChI |
InChI=1S/C17H20ClN6O7P/c18-17-22-14(20-5-9-3-1-2-4-19-9)11-15(23-17)24(7-21-11)16-13(26)12(25)10(31-16)6-30-8-32(27,28)29/h1-4,7,10,12-13,16,25-26H,5-6,8H2,(H,20,22,23)(H2,27,28,29)/t10-,12-,13-,16-/m1/s1
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| InChIKey |
DRPRHELCKDVINK-XNIJJKJLSA-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