General Information of the Compound
| Compound ID |
CP0469285
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| Compound Name |
1-[4-Chloro-2-hydroxy-6-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-phenyl]-3-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-propan-1-one
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| Structure |
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| Formula |
C23H25ClO10
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| Molecular Weight |
496.896
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| Canonical SMILES |
OC[C@H]1O[C@@H](Oc2cc(Cl)cc(O)c2C(=O)CCc2ccc3OCCOc3c2)[C@H](O)[C@@H](O)[C@@H]1O
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| InChI |
InChI=1S/C23H25ClO10/c24-12-8-14(27)19(13(26)3-1-11-2-4-15-16(7-11)32-6-5-31-15)17(9-12)33-23-22(30)21(29)20(28)18(10-25)34-23/h2,4,7-9,18,20-23,25,27-30H,1,3,5-6,10H2/t18-,20-,21+,22-,23-/m1/s1
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| InChIKey |
LBKNLPSWXKBZPU-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