General Information of the Compound
| Compound ID |
CP0494274
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| Compound Name |
(2S,3R,4R,5S)-2-(4-Chloro-3-(4-methoxyphenylthio)phenyl)-6-methoxytetrahydro-2H-pyran-3,4,5-triol
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| Structure |
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| Formula |
C19H21ClO6S
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| Molecular Weight |
412.891
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| Canonical SMILES |
COC1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Sc2ccc(OC)cc2)c1
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| InChI |
InChI=1S/C19H21ClO6S/c1-24-11-4-6-12(7-5-11)27-14-9-10(3-8-13(14)20)18-16(22)15(21)17(23)19(25-2)26-18/h3-9,15-19,21-23H,1-2H3/t15-,16-,17+,18+,19?/m1/s1
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| InChIKey |
YBYASAOVMRDJJK-OKLPXFMBSA-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