General Information of the Compound
Compound ID
CP0397188
Compound Name
(2S,3R,4R,5S)-2-(4'-Ethoxybiphenyl-4-yl)-6-methoxytetrahydro-2H-pyran-3,4,5-triol
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Structure
Formula
C20H24O6
Molecular Weight
360.406
Canonical SMILES
CCOc1ccc(cc1)-c1cccc(c1)[C@@H]1OC(OC)[C@@H](O)[C@H](O)[C@H]1O
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InChI
InChI=1S/C20H24O6/c1-3-25-15-9-7-12(8-10-15)13-5-4-6-14(11-13)19-17(22)16(21)18(23)20(24-2)26-19/h4-11,16-23H,3H2,1-2H3/t16-,17-,18+,19+,20?/m1/s1
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InChIKey
KQVVKGCCRNPRJA-WYGKVCCSSA-N
Physicochemical Property
logP
1.8788
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
88.38
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Complexity
26

"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).

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PubChem ID
CID: 24831390
SID: 49853189
ChEMBL ID
CHEMBL567777
Map of Molecular Bioactivity Related to the Compound
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
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02415, Sodium/glucose cotransporter 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 4600 nM
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