General Information of the Compound
| Compound ID |
CP0465997
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| Compound Name |
(1R,2S,3R,4R,6R)-4-(hydroxymethyl)-6-[2-[(4-methylsulfanylphenyl)methyl]phenoxy]cyclohexane-1,2,3-triol
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| Structure |
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| Formula |
C21H26O5S
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| Molecular Weight |
390.501
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| Canonical SMILES |
CSc1ccc(Cc2ccccc2O[C@@H]2C[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
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| InChI |
InChI=1S/C21H26O5S/c1-27-16-8-6-13(7-9-16)10-14-4-2-3-5-17(14)26-18-11-15(12-22)19(23)21(25)20(18)24/h2-9,15,18-25H,10-12H2,1H3/t15-,18-,19-,20+,21+/m1/s1
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| InChIKey |
IWLRPHUUXHUFKI-WIGAVFHRSA-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