General Information of the Compound
| Compound ID |
CP0562524
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| Compound Name |
(2S,3R,4R,5S,6R)-2-[4-chloro-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-hydroxyphenyl]-5-fluoro-6-(hydroxymethyl)-5-methyloxane-3,4-diol
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| Formula |
C22H24ClFO7
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| Molecular Weight |
454.878
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| Canonical SMILES |
C[C@]1(F)[C@H](O)[C@@H](O)[C@@H](O[C@@H]1CO)c1cc(Cc2ccc3OCCOc3c2)c(Cl)cc1O
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| InChI |
InChI=1S/C22H24ClFO7/c1-22(24)18(10-25)31-20(19(27)21(22)28)13-8-12(14(23)9-15(13)26)6-11-2-3-16-17(7-11)30-5-4-29-16/h2-3,7-9,18-21,25-28H,4-6,10H2,1H3/t18-,19+,20+,21-,22-/m1/s1
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| InChIKey |
YYMWHFACSHHXJW-CDJZJNNCSA-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