General Information of the Compound
Compound ID
CP0106853
Compound Name
biarylether alcohol quinoline, 5h
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Structure
Formula
C23H18ClNO2
Molecular Weight
375.855
Canonical SMILES
Cc1cnc2c(Cl)cccc2c1-c1cccc(Oc2cccc(CO)c2)c1
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InChI
InChI=1S/C23H18ClNO2/c1-15-13-25-23-20(9-4-10-21(23)24)22(15)17-6-3-8-19(12-17)27-18-7-2-5-16(11-18)14-26/h2-13,26H,14H2,1H3
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InChIKey
GPEAKTSELXSASN-UHFFFAOYSA-N
Physicochemical Property
logP
6.14822
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
42.35
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
27

"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: 44472989
ChEMBL ID
CHEMBL596047
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: PT01887, Oxysterols receptor LXR-beta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 938 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 12 nM
Protein ID: PT06394, Oxysterols receptor LXR-beta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000158 J774 Mus musculus (Mouse)  1
1
EC50 > 1000 nM
   TI
   LI
   LO
   TS