General Information of the Compound
| Compound ID |
CP0467646
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| Compound Name |
(2S,3R,4S,5S,6R)-2-(3-(2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ethyl)-1H-indol-4-yloxy)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol
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| Structure |
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| Formula |
C24H27NO8
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| Molecular Weight |
457.479
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| Canonical SMILES |
OC[C@H]1O[C@@H](Oc2cccc3[nH]cc(CCc4ccc5OCCOc5c4)c23)[C@H](O)[C@@H](O)[C@@H]1O
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| InChI |
InChI=1S/C24H27NO8/c26-12-19-21(27)22(28)23(29)24(33-19)32-17-3-1-2-15-20(17)14(11-25-15)6-4-13-5-7-16-18(10-13)31-9-8-30-16/h1-3,5,7,10-11,19,21-29H,4,6,8-9,12H2/t19-,21-,22+,23-,24-/m1/s1
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| InChIKey |
UKAHIECRXIBHHP-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