General Information of the Compound
Compound ID
CP0076213
Compound Name
2'-Hydroxy-[1,1';4',1'']terphenyl-4-carboxylic acid benzylamide
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Structure
Formula
C26H21NO2
Molecular Weight
379.459
Canonical SMILES
Oc1cc(ccc1-c1ccc(cc1)C(=O)NCc1ccccc1)-c1ccccc1
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InChI
InChI=1S/C26H21NO2/c28-25-17-23(20-9-5-2-6-10-20)15-16-24(25)21-11-13-22(14-12-21)26(29)27-18-19-7-3-1-4-8-19/h1-17,28H,18H2,(H,27,29)
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InChIKey
MZDVWZFWJPDBMM-UHFFFAOYSA-N
Physicochemical Property
logP
5.6562
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
49.33
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
29

"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: 9977010
SID: 14954834
ChEMBL ID
CHEMBL345019
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 = 1400 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 > 1000 nM