General Information of the Compound
| Compound ID |
CP0552220
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| Compound Name |
[(2R,3S,4R,5R)-5-[2-chloro-6-[(2-chlorophenyl)methyl-methylamino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethylphosphonic acid
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| Structure |
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| Formula |
C19H22Cl2N5O7P
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| Molecular Weight |
534.293
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| Canonical SMILES |
CN(Cc1ccccc1Cl)c1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COCP(O)(O)=O)[C@@H](O)[C@H]1O
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| InChI |
InChI=1S/C19H22Cl2N5O7P/c1-25(6-10-4-2-3-5-11(10)20)16-13-17(24-19(21)23-16)26(8-22-13)18-15(28)14(27)12(33-18)7-32-9-34(29,30)31/h2-5,8,12,14-15,18,27-28H,6-7,9H2,1H3,(H2,29,30,31)/t12-,14-,15-,18-/m1/s1
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| InChIKey |
KULZDKMFCYVJGK-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