General Information of the Compound
| Compound ID |
CP0382435
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| Compound Name |
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(3-(2-(naphthalen-2-yl)ethyl)-1H-indol-4-yloxy)-tetrahydro-2H-pyran-3,4,5-triol
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| Structure |
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| Formula |
C26H27NO6
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| Molecular Weight |
449.503
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| Canonical SMILES |
OC[C@H]1O[C@@H](Oc2cccc3[nH]cc(CCc4ccc5ccccc5c4)c23)[C@H](O)[C@@H](O)[C@@H]1O
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| InChI |
InChI=1S/C26H27NO6/c28-14-21-23(29)24(30)25(31)26(33-21)32-20-7-3-6-19-22(20)18(13-27-19)11-9-15-8-10-16-4-1-2-5-17(16)12-15/h1-8,10,12-13,21,23-31H,9,11,14H2/t21-,23-,24+,25-,26-/m1/s1
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| InChIKey |
KOBLLUJNYLNPMB-XDXGNBCUSA-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