General Information of the Compound
| Compound ID |
CP0471886
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| Compound Name |
(2S,3R,4R,5S,6R)-2-[7-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-hydroxy-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 |
C23H25FO8
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| Molecular Weight |
448.443
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| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1F)c1cc(Cc2ccc3OCCOc3c2)c2OCCc2c1O
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| InChI |
InChI=1S/C23H25FO8/c24-18-17(10-25)32-23(21(28)20(18)27)14-9-12(22-13(19(14)26)3-4-31-22)7-11-1-2-15-16(8-11)30-6-5-29-15/h1-2,8-9,17-18,20-21,23,25-28H,3-7,10H2/t17-,18-,20+,21-,23+/m1/s1
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| InChIKey |
JRCJDHHDZPYFFN-MDBOPMCTSA-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