General Information of the Compound
| Compound ID |
CP0573087
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| Compound Name |
(2S,3R,4R,5S,6R)-2-[5-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-hydroxy-4-methoxyphenyl]-5-fluoro-6-(hydroxymethyl)-5-methyloxane-3,4-diol
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| Structure |
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| Formula |
C23H27FO8
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| Molecular Weight |
450.459
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| Canonical SMILES |
COc1cc(O)c(cc1Cc1ccc2OCCOc2c1)[C@@H]1O[C@H](CO)[C@@](C)(F)[C@H](O)[C@H]1O
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| InChI |
InChI=1S/C23H27FO8/c1-23(24)19(11-25)32-21(20(27)22(23)28)14-9-13(17(29-2)10-15(14)26)7-12-3-4-16-18(8-12)31-6-5-30-16/h3-4,8-10,19-22,25-28H,5-7,11H2,1-2H3/t19-,20+,21+,22-,23-/m1/s1
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| InChIKey |
PSGPXDNCYGGOCU-BMXMUORJSA-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