General Information of the Compound
| Compound ID |
CP0485709
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| Compound Name |
1-[2-Chloro-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 |
C23H25ClO9
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| Molecular Weight |
480.897
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| Canonical SMILES |
OC[C@H]1O[C@@H](Oc2cccc(Cl)c2C(=O)CCc2ccc3OCCOc3c2)[C@H](O)[C@@H](O)[C@@H]1O
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| InChI |
InChI=1S/C23H25ClO9/c24-13-2-1-3-16(32-23-22(29)21(28)20(27)18(11-25)33-23)19(13)14(26)6-4-12-5-7-15-17(10-12)31-9-8-30-15/h1-3,5,7,10,18,20-23,25,27-29H,4,6,8-9,11H2/t18-,20-,21+,22-,23-/m1/s1
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| InChIKey |
RTCQWPDTJIXOFG-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