General Information of the Compound
Compound ID
CP0149932
Compound Name
2'-Hydroxy-[1,1';3',1'']terphenyl-4-carboxylic acid methyl ester
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Structure
Formula
C20H16O3
Molecular Weight
304.345
Canonical SMILES
COC(=O)c1ccc(cc1)-c1cccc(c1O)-c1ccccc1
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InChI
InChI=1S/C20H16O3/c1-23-20(22)16-12-10-15(11-13-16)18-9-5-8-17(19(18)21)14-6-3-2-4-7-14/h2-13,21H,1H3
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InChIKey
GIFHLHQTOICXGG-UHFFFAOYSA-N
Physicochemical Property
logP
4.5128
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
46.53
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
23

"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: 10542530
SID: 15569246
ChEMBL ID
CHEMBL142985
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: PT00922, Epidermal growth factor receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000520 39ER22 Cricetulus griseus (Chinese hamster)  1
1
IC50 > 5000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 > 20000 nM