General Information of the Compound
Compound ID
CP0541844
Compound Name
2,4-difluoro-1-[(E)-2-(2-fluorophenyl)ethenyl]benzene
    Show/Hide
Structure
Formula
C14H9F3
Molecular Weight
234.22
Canonical SMILES
Fc1ccc(\C=C\c2ccccc2F)c(F)c1
    Show/Hide
InChI
InChI=1S/C14H9F3/c15-12-8-7-11(14(17)9-12)6-5-10-3-1-2-4-13(10)16/h1-9H/b6-5+
    Show/Hide
InChIKey
AQFWKLBQXQGWEJ-AATRIKPKSA-N
Physicochemical Property
logP
4.2743
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
0
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Complexity
17

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 134132759
ChEMBL ID
CHEMBL3907816
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: PT04367, Nuclear factor erythroid 2-related factor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2 Homo sapiens (Human)  1
1
EC50 = 9600 nM
   TI
   LI
   LO
   TS