General Information of the Compound
| Compound ID |
CP0476446
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| Compound Name |
(2S,3R,4R,5S,6R)-2-[2-hydroxy-5-[(4-methoxyphenyl)methyl]-4-methylphenyl]-6-(hydroxymethyl)thiane-3,4,5-triol
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| Structure |
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| Formula |
C21H26O6S
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| Molecular Weight |
406.5
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| Canonical SMILES |
COc1ccc(Cc2cc([C@@H]3S[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2C)cc1
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| InChI |
InChI=1S/C21H26O6S/c1-11-7-16(23)15(21-20(26)19(25)18(24)17(10-22)28-21)9-13(11)8-12-3-5-14(27-2)6-4-12/h3-7,9,17-26H,8,10H2,1-2H3/t17-,18-,19+,20-,21+/m1/s1
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| InChIKey |
LXIUDSZZESBQKO-ADAARDCZSA-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