General Information of the Compound
Compound ID
CP0394714
Compound Name
(2S,3R,4S,5S,6R)-2-(3-(2-(2,3-dihydrobenzofuran-5-yl)ethyl)-3H-benzo[d]imidazol-4-yloxy)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol
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Structure
Formula
C23H26N2O7
Molecular Weight
442.468
Canonical SMILES
OC[C@H]1O[C@@H](Oc2cccc3ncn(CCc4ccc5OCCc5c4)c23)[C@H](O)[C@@H](O)[C@@H]1O
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InChI
InChI=1S/C23H26N2O7/c26-11-18-20(27)21(28)22(29)23(32-18)31-17-3-1-2-15-19(17)25(12-24-15)8-6-13-4-5-16-14(10-13)7-9-30-16/h1-5,10,12,18,20-23,26-29H,6-9,11H2/t18-,20-,21+,22-,23-/m1/s1
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InChIKey
HYHCQLJRRRZCRH-DODNOZFWSA-N
Physicochemical Property
logP
0.3926
Rotatable Bonds
6
Heavy Atom Count
32
Polar Areas
126.43
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
9
Complexity
32

"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: 11546717
SID: 16648888
ChEMBL ID
CHEMBL200250
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: PT03804, Sodium/glucose cotransporter 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 718 nM
   TI
   LI
   LO
   TS
Protein ID: PT02415, Sodium/glucose cotransporter 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 39 nM
   TI
   LI
   LO
   TS