General Information of the Compound
Compound ID
CP0373297
Compound Name
(2S,3R,4R,5S,6R)-2-(2-(allyloxymethyl)-4-chloro-5-((5-(furan-2-yl)thiazol-2-yl)methyl)phenyl)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol
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Structure
Formula
C24H26ClNO7S
Molecular Weight
507.992
Canonical SMILES
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1cc(Cc2ncc(s2)-c2ccco2)c(Cl)cc1COCC=C
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InChI
InChI=1S/C24H26ClNO7S/c1-2-5-31-12-14-8-16(25)13(9-20-26-10-19(34-20)17-4-3-6-32-17)7-15(14)24-23(30)22(29)21(28)18(11-27)33-24/h2-4,6-8,10,18,21-24,27-30H,1,5,9,11-12H2/t18-,21-,22+,23-,24+/m1/s1
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InChIKey
RJEGCFFRPPVKDZ-MWFZDGHISA-N
Physicochemical Property
logP
2.8648
Rotatable Bonds
9
Heavy Atom Count
34
Polar Areas
125.41
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
9
Complexity
34

"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: 53329034
SID: 124979130
ChEMBL ID
CHEMBL1782080
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
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 17.5 nM
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   LI
   LO
   TS