General Information of the Compound
| Compound ID |
CP0435951
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| Compound Name |
(2R,3R,4S,5S,6R)-2-[5-[(4-ethoxyphenyl)methyl]-4-methylthiophen-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
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| Structure |
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| Formula |
C20H26O6S
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| Molecular Weight |
394.489
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| Canonical SMILES |
CCOc1ccc(Cc2sc(cc2C)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
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| InChI |
InChI=1S/C20H26O6S/c1-3-25-13-6-4-12(5-7-13)9-15-11(2)8-16(27-15)20-19(24)18(23)17(22)14(10-21)26-20/h4-8,14,17-24H,3,9-10H2,1-2H3/t14-,17-,18+,19-,20+/m1/s1
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| InChIKey |
MBTYCWPMPCMIAK-QSWMPLQWSA-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