General Information of the Compound
| Compound ID |
CP0333794
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| Compound Name |
(1R,2R,3S,4R,5R)-1-[3-[(4-ethylphenyl)methyl]-4-methoxyphenyl]-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
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| Structure |
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| Formula |
C23H30O6
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| Molecular Weight |
402.487
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| Canonical SMILES |
CCc1ccc(Cc2cc(ccc2OC)[C@]2(O)C[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
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| InChI |
InChI=1S/C23H30O6/c1-3-14-4-6-15(7-5-14)10-16-11-18(8-9-19(16)29-2)23(28)12-17(13-24)20(25)21(26)22(23)27/h4-9,11,17,20-22,24-28H,3,10,12-13H2,1-2H3/t17-,20-,21+,22-,23-/m1/s1
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| InChIKey |
ADAINMOCVZQXHL-LDBVRRDLSA-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