General Information of the Compound
Compound ID
CP0255636
Compound Name
3-[3-(3-methylsulfonylphenoxy)phenyl]-2-propan-2-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine
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Structure
Formula
C24H21F3N2O3S
Molecular Weight
474.504
Canonical SMILES
CC(C)c1nc2c(cccn2c1-c1cccc(Oc2cccc(c2)S(C)(=O)=O)c1)C(F)(F)F
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InChI
InChI=1S/C24H21F3N2O3S/c1-15(2)21-22(29-12-6-11-20(23(29)28-21)24(25,26)27)16-7-4-8-17(13-16)32-18-9-5-10-19(14-18)33(3,30)31/h4-15H,1-3H3
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InChIKey
QQDXQGDFJZPVRX-UHFFFAOYSA-N
Physicochemical Property
logP
6.3393
Rotatable Bonds
5
Heavy Atom Count
33
Polar Areas
60.67
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
33

"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: 46877573
ChEMBL ID
CHEMBL611466
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: PT01555, Oxysterols receptor LXR-alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000148 Huh-7 Homo sapiens (Human)  1
1
EC50 = 950 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 3.5 nM
Protein ID: PT01887, Oxysterols receptor LXR-beta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000148 Huh-7 Homo sapiens (Human)  1
1
EC50 = 1860 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 137 nM