General Information of the Compound
Compound ID
CP0078208
Compound Name
2-formyl-N-[5-(trifluoromethyl)pyridin-2-yl]quinoline-8-carboxamide
    Show/Hide
Structure
Formula
C17H10F3N3O2
Molecular Weight
345.28
Canonical SMILES
FC(F)(F)c1ccc(NC(=O)c2cccc3ccc(C=O)nc23)nc1
    Show/Hide
InChI
InChI=1S/C17H10F3N3O2/c18-17(19,20)11-5-7-14(21-8-11)23-16(25)13-3-1-2-10-4-6-12(9-24)22-15(10)13/h1-9H,(H,21,23,25)
    Show/Hide
InChIKey
RJUAKORAVOTBIE-UHFFFAOYSA-N
Physicochemical Property
logP
3.7134
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
71.95
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
25

"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: 139187793
ChEMBL ID
CHEMBL4277111
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: PT01343, Fibroblast growth factor receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  4
1
IC50 = 43 nM
   TI
   LI
   LO
   TS
2
IC50 = 57 nM
   TI
   LI
   LO
   TS
3
IC50 = 65 nM
   TI
   LI
   LO
   TS
4
IC50 > 10000 nM
   TI
   LI
   LO
   TS
CL000077 Ba/F3 Mus musculus (Mouse)  1
1
IC50 = 2755 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 57 nM
2 IC50 > 10000 nM
Protein ID: PT07029, Fibroblast growth factor receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000077 Ba/F3 Mus musculus (Mouse)  2
1
IC50 = 2755 nM
   TI
   LI
   LO
   TS
2
IC50 > 3000 nM
   TI
   LI
   LO
   TS