General Information of the Compound
Compound ID
CP0002017
Compound Name
5,6-Bis-(4-fluoro-phenylamino)-isoindole-1,3-dione
    Show/Hide
Synonyms
145915-60-2
4,5-Bis(4-fluoroanilino)phthalimide
4,5-Bis[4-fluoroanilino]phthalimide
4,5-bis(4-Fluoroanilino)-phthalimide
5,6-BIS[(4-FLUOROPHENYL)AMINO]-1H-ISOINDOLE-1,3(2H)-DIONE
5,6-Bis((4-fluorophenyl)amino)isoindoline-1,3-dione
5,6-Bis[(4-fluorophenyl)amino]-2H-isoindole-1,3-dione
5,6-bis(4-fluoroanilino)isoindole-1,3-dione
AC1O8KXF
CG53353
CGP 53 353
CGP 53353
CGP-53353
CGP-53353, solid
CGP53353
CHEMBL7939
DAPH 2
DAPH-2
DAPH-7
MolMap_000016
PKCbII/EGFR Inhibitor
PKCbetaII/EGFR Inhibitor
SCHEMBL230492
    Show/Hide
Structure
Formula
C20H13F2N3O2
Molecular Weight
365.339
Canonical SMILES
Fc1ccc(Nc2cc3C(=O)NC(=O)c3cc2Nc2ccc(F)cc2)cc1
    Show/Hide
InChI
InChI=1S/C20H13F2N3O2/c21-11-1-5-13(6-2-11)23-17-9-15-16(20(27)25-19(15)26)10-18(17)24-14-7-3-12(22)4-8-14/h1-10,23-24H,(H,25,26,27)
    Show/Hide
InChIKey
RONQPWQYDRPRGG-UHFFFAOYSA-N
Physicochemical Property
logP
4.3356
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
70.23
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 6711154
SID: 12014958
ChEMBL ID
CHEMBL7939
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
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000052 A-431
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 2200 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 700 nM
Clinical Information about the Compound
Drug 1 ( CGP-53353 )
Drug Name CGP-53353
Target(s)
Epidermal growth factor receptor (EGFR)
 Target Info 
Inhibitor