General Information of the Compound
| Compound ID |
CP0435324
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| Compound Name |
1-[4-Chloro-2-hydroxy-6-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-phenyl]-3-(4-ethoxy-phenyl)-propan-1-one
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| Structure |
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| Formula |
C23H27ClO9
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| Molecular Weight |
482.913
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| Canonical SMILES |
CCOc1ccc(CCC(=O)c2c(O)cc(Cl)cc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
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| InChI |
InChI=1S/C23H27ClO9/c1-2-31-14-6-3-12(4-7-14)5-8-15(26)19-16(27)9-13(24)10-17(19)32-23-22(30)21(29)20(28)18(11-25)33-23/h3-4,6-7,9-10,18,20-23,25,27-30H,2,5,8,11H2,1H3/t18-,20-,21+,22-,23-/m1/s1
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| InChIKey |
IWRUKKIVIXIBRH-DODNOZFWSA-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