General Information of the Compound
| Compound ID |
CP0226250
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| Compound Name |
(2S,3R,4R,5S,6R)-2-(4-Chloro-3-((5-methoxy-1,3,4-thiadiazol-2-yl)methyl)phenyl)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol
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| Structure |
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| Formula |
C16H19ClN2O6S
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| Molecular Weight |
402.856
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| Canonical SMILES |
COc1nnc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)s1
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| InChI |
InChI=1S/C16H19ClN2O6S/c1-24-16-19-18-11(26-16)5-8-4-7(2-3-9(8)17)15-14(23)13(22)12(21)10(6-20)25-15/h2-4,10,12-15,20-23H,5-6H2,1H3/t10-,12-,13+,14-,15+/m1/s1
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| InChIKey |
AOYNLAYZVSZWGA-LFHLZQBKSA-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