General Information of the Compound
| Compound ID |
CP0498396
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| Compound Name |
(1R,2S,3R,4R,6R)-4-[2-[(4-ethylphenyl)methyl]phenoxy]-6-(hydroxymethyl)cyclohexane-1,2,3-triol
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| Structure |
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| Formula |
C22H28O5
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| Molecular Weight |
372.461
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| Canonical SMILES |
CCc1ccc(Cc2ccccc2O[C@@H]2C[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
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| InChI |
InChI=1S/C22H28O5/c1-2-14-7-9-15(10-8-14)11-16-5-3-4-6-18(16)27-19-12-17(13-23)20(24)22(26)21(19)25/h3-10,17,19-26H,2,11-13H2,1H3/t17-,19-,20-,21+,22+/m1/s1
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| InChIKey |
XVPAOSPCPFGRSC-IWTFSIHTSA-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: PT06111, Probable glucose sensor protein SLC5A4
Protein ID: PT03804, Sodium/glucose cotransporter 1