General Information of the Compound
| Compound ID |
CP0436988
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| Compound Name |
(2S,3R,4S,5S,6R)-2-(3-(4-(pyridin-3-yl)benzyl)-1H-indol-4-yloxy)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol
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| Structure |
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| Formula |
C26H26N2O6
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| Molecular Weight |
462.502
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| Canonical SMILES |
OC[C@H]1O[C@@H](Oc2cccc3[nH]cc(Cc4ccc(cc4)-c4cccnc4)c23)[C@H](O)[C@@H](O)[C@@H]1O
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| InChI |
InChI=1S/C26H26N2O6/c29-14-21-23(30)24(31)25(32)26(34-21)33-20-5-1-4-19-22(20)18(13-28-19)11-15-6-8-16(9-7-15)17-3-2-10-27-12-17/h1-10,12-13,21,23-26,28-32H,11,14H2/t21-,23-,24+,25-,26-/m1/s1
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| InChIKey |
OAPHQYZGTIIVND-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