General Information of the Compound
Compound ID
CP0375310
Compound Name
N-[3-[(6-chloro-1,3-dioxoisoindol-5-yl)amino]phenyl]-3-iodobenzamide
    Show/Hide
Structure
Formula
C21H13ClIN3O3
Molecular Weight
517.71
Canonical SMILES
Clc1cc2C(=O)NC(=O)c2cc1Nc1cccc(NC(=O)c2cccc(I)c2)c1
    Show/Hide
InChI
InChI=1S/C21H13ClIN3O3/c22-17-9-15-16(21(29)26-20(15)28)10-18(17)24-13-5-2-6-14(8-13)25-19(27)11-3-1-4-12(23)7-11/h1-10,24H,(H,25,27)(H,26,28,29)
    Show/Hide
InChIKey
NQTHPBZIGQQCGW-UHFFFAOYSA-N
Physicochemical Property
logP
4.8241
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
87.3
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 54764764
SID: 131528986
ChEMBL ID
CHEMBL1922475
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: PT01381, Serine/threonine-protein kinase B-raf
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 8 nM
   TI
   LI
   LO
   TS