General Information of the Compound
Compound ID
CP0144261
Compound Name
3-(3-(8-chloro-2-isopropylimidazo[1,2-a]pyridin-3-yl)phenoxy)-N-methylbenzenesulfonamide
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Structure
Formula
C23H22ClN3O3S
Molecular Weight
455.967
Canonical SMILES
CNS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(nc3c(Cl)cccn23)C(C)C)c1
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InChI
InChI=1S/C23H22ClN3O3S/c1-15(2)21-22(27-12-6-11-20(24)23(27)26-21)16-7-4-8-17(13-16)30-18-9-5-10-19(14-18)31(28,29)25-3/h4-15,25H,1-3H3
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InChIKey
ZLCICKWEGSYHOX-UHFFFAOYSA-N
Physicochemical Property
logP
5.4785
Rotatable Bonds
6
Heavy Atom Count
31
Polar Areas
72.7
Hydrogen Bond Donor Count
1
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: 44136213
SID: 85092002
ChEMBL ID
CHEMBL595917
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 = 530 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 7.5 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 = 1610 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 239 nM