General Information of the Compound
Compound ID
CP0902250
Compound Name
1-(3-Fluorophenyl)-3-(3-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-7-yloxy)phenyl)urea
    Show/Hide
Structure
Formula
C20H15FN4O3
Molecular Weight
378.363
Canonical SMILES
O=C(Nc1cccc(F)c1)Nc1cccc(Oc2cccc3[nH]c(=O)[nH]c23)c1
    Show/Hide
InChI
InChI=1S/C20H15FN4O3/c21-12-4-1-5-13(10-12)22-19(26)23-14-6-2-7-15(11-14)28-17-9-3-8-16-18(17)25-20(27)24-16/h1-11H,(H2,22,23,26)(H2,24,25,27)
    Show/Hide
InChIKey
NCIJENIIDWWRGV-UHFFFAOYSA-N
Physicochemical Property
logP
4.4316
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
99.01
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
3
Complexity
28

"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: 46228947
ChEMBL ID
CHEMBL591264
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 = 2750 nM
   TI
   LI
   LO
   TS
CL000252 WM266-4 Homo sapiens (Human)  1
1
IC50 = 50200 nM
   TI
   LI
   LO
   TS