General Information of the Compound
| Compound ID |
CP0479980
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| Compound Name |
(1S)-1,5-Anhydro-1-[3-(4-ethoxybenzyl)-4-hydroxyphenyl]-1-thio-D-glucitol
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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 |
CCOc1ccc(Cc2cc(ccc2O)[C@@H]2S[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
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| InChI |
InChI=1S/C21H26O6S/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)23)21-20(26)19(25)18(24)17(11-22)28-21/h3-8,10,17-26H,2,9,11H2,1H3/t17-,18-,19+,20-,21+/m1/s1
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| InChIKey |
KEFWITBOOMNVKL-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
Protein ID: PT03804, Sodium/glucose cotransporter 1
Protein ID: PT02415, Sodium/glucose cotransporter 2