General Information of the Compound
| Compound ID |
CP0179227
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| Compound Name |
(2S,3R,4R,5S,6R)-2-[7-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methoxy-2,3-dihydro-1-benzofuran-5-yl]-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol
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| Structure |
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| Formula |
C24H27FO8
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| Molecular Weight |
462.47
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| Canonical SMILES |
COc1c2CCOc2c(Cc2ccc3OCCOc3c2)cc1[C@@H]1O[C@H](CO)[C@@H](F)[C@H](O)[C@H]1O
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| InChI |
InChI=1S/C24H27FO8/c1-29-23-14-4-5-32-22(14)13(8-12-2-3-16-17(9-12)31-7-6-30-16)10-15(23)24-21(28)20(27)19(25)18(11-26)33-24/h2-3,9-10,18-21,24,26-28H,4-8,11H2,1H3/t18-,19-,20+,21-,24+/m1/s1
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| InChIKey |
QUHJWCHBJBZVQP-IDYLKPADSA-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: PT03888, Sodium/glucose cotransporter 1
Protein ID: PT02415, Sodium/glucose cotransporter 2
Protein ID: PT02832, Sodium/glucose cotransporter 2