General Information of the Compound
| Compound ID |
CP0295288
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| Compound Name |
(1S,2R,3R,4R,6S)-4-(hydroxymethyl)-6-[3-[(4-methoxyphenyl)methyl]phenyl]cyclohexane-1,2,3-triol
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| Structure |
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| Formula |
C21H26O5
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| Molecular Weight |
358.434
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| Canonical SMILES |
COc1ccc(Cc2cccc(c2)[C@@H]2C[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
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| InChI |
InChI=1S/C21H26O5/c1-26-17-7-5-13(6-8-17)9-14-3-2-4-15(10-14)18-11-16(12-22)19(23)21(25)20(18)24/h2-8,10,16,18-25H,9,11-12H2,1H3/t16-,18+,19-,20+,21+/m1/s1
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| InChIKey |
PCAUEUWLOMHNGF-VLQCVTHLSA-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