General Information of the Compound
| Compound ID |
CP0382434
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| Compound Name |
(2R,3S,4S,5R,6S)-2-Hydroxymethyl-6-[3-(4-methyl-benzyl)-1H-indol-4-yloxy]-tetrahydro-pyran-3,4,5-triol
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| Structure |
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| Formula |
C22H25NO6
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| Molecular Weight |
399.443
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| Canonical SMILES |
Cc1ccc(Cc2c[nH]c3cccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c23)cc1
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| InChI |
InChI=1S/C22H25NO6/c1-12-5-7-13(8-6-12)9-14-10-23-15-3-2-4-16(18(14)15)28-22-21(27)20(26)19(25)17(11-24)29-22/h2-8,10,17,19-27H,9,11H2,1H3/t17-,19-,20+,21-,22-/m1/s1
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| InChIKey |
RPTIPWSUINVZPF-MIUGBVLSSA-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