General Information of the Compound
| Compound ID |
CP0529776
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| Compound Name |
(2S,3R,4S,5S,6R)-2-(3-(4-(thiophen-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 |
C25H25NO6S
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| Molecular Weight |
467.543
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| Canonical SMILES |
OC[C@H]1O[C@@H](Oc2cccc3[nH]cc(Cc4ccc(cc4)-c4ccsc4)c23)[C@H](O)[C@@H](O)[C@@H]1O
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| InChI |
InChI=1S/C25H25NO6S/c27-12-20-22(28)23(29)24(30)25(32-20)31-19-3-1-2-18-21(19)17(11-26-18)10-14-4-6-15(7-5-14)16-8-9-33-13-16/h1-9,11,13,20,22-30H,10,12H2/t20-,22-,23+,24-,25-/m1/s1
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| InChIKey |
QJEODDZMVLCHPR-PRDVQWLOSA-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