General Information of the Compound
| Compound ID |
CP0446642
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| Compound Name |
(2S,3R,4S,5S,6R)-2-(3-(4-propylbenzyl)-1H-indol-4-yloxy)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol
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| Structure |
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| Formula |
C24H29NO6
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| Molecular Weight |
427.497
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| Canonical SMILES |
CCCc1ccc(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/C24H29NO6/c1-2-4-14-7-9-15(10-8-14)11-16-12-25-17-5-3-6-18(20(16)17)30-24-23(29)22(28)21(27)19(13-26)31-24/h3,5-10,12,19,21-29H,2,4,11,13H2,1H3/t19-,21-,22+,23-,24-/m1/s1
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| InChIKey |
QHDBLNJCQRQDEV-PFKOEMKTSA-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