General Information of the Compound
Compound ID
CP0191445
Compound Name
2-methyl-3-(3-(3-(methylsulfonyl)phenoxy)phenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine
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Structure
Formula
C22H17F3N2O3S
Molecular Weight
446.45
Canonical SMILES
Cc1nc2c(cccn2c1-c1cccc(Oc2cccc(c2)S(C)(=O)=O)c1)C(F)(F)F
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InChI
InChI=1S/C22H17F3N2O3S/c1-14-20(27-11-5-10-19(21(27)26-14)22(23,24)25)15-6-3-7-16(12-15)30-17-8-4-9-18(13-17)31(2,28)29/h3-13H,1-2H3
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InChIKey
FSSRGWRMAQZYCP-UHFFFAOYSA-N
Physicochemical Property
logP
5.52432
Rotatable Bonds
4
Heavy Atom Count
31
Polar Areas
60.67
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
31

"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: 44137366
SID: 85093116
ChEMBL ID
CHEMBL605314
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 = 840 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 49 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 = 2540 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 799 nM