General Information of the Compound
| Compound ID |
CP0439724
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| Compound Name |
(2S,3R,4S,5R)-2-(1-benzylindol-3-yl)oxane-3,4,5-triol
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| Structure |
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| Formula |
C20H21NO4
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| Molecular Weight |
339.391
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| Canonical SMILES |
O[C@@H]1CO[C@H]([C@H](O)[C@H]1O)c1cn(Cc2ccccc2)c2ccccc12
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| InChI |
InChI=1S/C20H21NO4/c22-17-12-25-20(19(24)18(17)23)15-11-21(10-13-6-2-1-3-7-13)16-9-5-4-8-14(15)16/h1-9,11,17-20,22-24H,10,12H2/t17-,18+,19-,20+/m1/s1
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| InChIKey |
HMOYCJJKDQYDQA-WCIQWLHISA-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