General Information of the Compound
Compound ID
CP0391965
Compound Name
2,6-difluoro-N-(2-phenyl-1H-imidazo[4,5-b]pyridin-6-yl)-3-(propylsulfonylamino)benzamide
    Show/Hide
Structure
Formula
C22H19F2N5O3S
Molecular Weight
471.489
Canonical SMILES
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]c(nc3c2)-c2ccccc2)c1F
    Show/Hide
InChI
InChI=1S/C22H19F2N5O3S/c1-2-10-33(31,32)29-16-9-8-15(23)18(19(16)24)22(30)26-14-11-17-21(25-12-14)28-20(27-17)13-6-4-3-5-7-13/h3-9,11-12,29H,2,10H2,1H3,(H,26,30)(H,25,27,28)
    Show/Hide
InChIKey
KDQSGILOUJHVKJ-UHFFFAOYSA-N
Physicochemical Property
logP
4.3071
Rotatable Bonds
7
Heavy Atom Count
33
Polar Areas
116.84
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
33

"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: 44230849
SID: 85250098
ChEMBL ID
CHEMBL2436813
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
CL000212 Malme-3M Homo sapiens (Human)  1
1
IC50 = 132 nM
   TI
   LI
   LO
   TS