General Information of the Compound
| Compound ID |
CP0533886
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| Compound Name |
[(2R,3S,4R,5R)-5-[2-chloro-6-[2-(2-methoxyphenyl)ethylamino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethylphosphonic acid
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| Structure |
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| Formula |
C20H25ClN5O8P
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| Molecular Weight |
529.874
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| Canonical SMILES |
COc1ccccc1CCNc1nc(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/C20H25ClN5O8P/c1-32-12-5-3-2-4-11(12)6-7-22-17-14-18(25-20(21)24-17)26(9-23-14)19-16(28)15(27)13(34-19)8-33-10-35(29,30)31/h2-5,9,13,15-16,19,27-28H,6-8,10H2,1H3,(H,22,24,25)(H2,29,30,31)/t13-,15-,16-,19-/m1/s1
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| InChIKey |
SYWBEHSRDGWFHM-NVQRDWNXSA-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