General Information of the Compound
Compound ID
CP0538849
Compound Name
(2S,3R,4R,5S,6S)-2-(4-chloro-3-((5-(furan-2-yl)thiazol-2-yl)methyl)phenyl)-6-(tosylmethyl)tetrahydro-2H-pyran-3,4,5-triol
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Structure
Formula
C27H26ClNO7S2
Molecular Weight
576.092
Canonical SMILES
Cc1ccc(cc1)S(=O)(=O)C[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ncc(s2)-c2ccco2)c1
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InChI
InChI=1S/C27H26ClNO7S2/c1-15-4-7-18(8-5-15)38(33,34)14-21-24(30)25(31)26(32)27(36-21)16-6-9-19(28)17(11-16)12-23-29-13-22(37-23)20-3-2-10-35-20/h2-11,13,21,24-27,30-32H,12,14H2,1H3/t21-,24-,25+,26-,27+/m1/s1
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InChIKey
IZJGHHDMKNZABK-TVMVJRKWSA-N
Physicochemical Property
logP
3.95222
Rotatable Bonds
7
Heavy Atom Count
38
Polar Areas
130.09
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
9
Complexity
38

"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: 53326413
ChEMBL ID
CHEMBL1642527
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 = 156 nM
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