General Information of the Compound
| Compound ID |
CP0526836
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| Compound Name |
(1R,2S,3R,4R,6R)-4-(hydroxymethyl)-6-[2-[[4-(trifluoromethyl)phenyl]methyl]phenoxy]cyclohexane-1,2,3-triol
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| Structure |
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| Formula |
C21H23F3O5
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| Molecular Weight |
412.404
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| Canonical SMILES |
OC[C@H]1C[C@@H](Oc2ccccc2Cc2ccc(cc2)C(F)(F)F)[C@H](O)[C@@H](O)[C@@H]1O
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| InChI |
InChI=1S/C21H23F3O5/c22-21(23,24)15-7-5-12(6-8-15)9-13-3-1-2-4-16(13)29-17-10-14(11-25)18(26)20(28)19(17)27/h1-8,14,17-20,25-28H,9-11H2/t14-,17-,18-,19+,20+/m1/s1
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| InChIKey |
VESYLBNKBDGTSC-SBUWESJJSA-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