General Information of the Compound
Compound ID
CP0924127
Compound Name
N-(2-methyl-5-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-7-yloxy)phenyl)-3-(trifluoromethoxy)benzamide
    Show/Hide
Structure
Formula
C22H16F3N3O4
Molecular Weight
443.381
Canonical SMILES
Cc1ccc(Oc2cccc3[nH]c(=O)[nH]c23)cc1NC(=O)c1cccc(OC(F)(F)F)c1
    Show/Hide
InChI
InChI=1S/C22H16F3N3O4/c1-12-8-9-14(31-18-7-3-6-16-19(18)28-21(30)27-16)11-17(12)26-20(29)13-4-2-5-15(10-13)32-22(23,24)25/h2-11H,1H3,(H,26,29)(H2,27,28,30)
    Show/Hide
InChIKey
NHRBNQIZLLAJSM-UHFFFAOYSA-N
Physicochemical Property
logP
5.10782
Rotatable Bonds
5
Heavy Atom Count
32
Polar Areas
96.21
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
32

"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: 46228857
ChEMBL ID
CHEMBL599861
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 > 10000 nM
   TI
   LI
   LO
   TS
CL000252 WM266-4 Homo sapiens (Human)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS