General Information of the Compound
Compound ID
CP0152511
Compound Name
N-[2-fluoro-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
    Show/Hide
Structure
Formula
C27H27FN6O2
Molecular Weight
486.551
Canonical SMILES
CN1CCN(CC1)c1ccccc1CNC(=O)c1ccc(F)c(NC(=O)c2cnc3ccccn23)c1
    Show/Hide
InChI
InChI=1S/C27H27FN6O2/c1-32-12-14-33(15-13-32)23-7-3-2-6-20(23)17-30-26(35)19-9-10-21(28)22(16-19)31-27(36)24-18-29-25-8-4-5-11-34(24)25/h2-11,16,18H,12-15,17H2,1H3,(H,30,35)(H,31,36)
    Show/Hide
InChIKey
WINHBLFFLLUAFT-UHFFFAOYSA-N
Physicochemical Property
logP
3.4075
Rotatable Bonds
6
Heavy Atom Count
36
Polar Areas
81.98
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
36

"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: 134153891
ChEMBL ID
CHEMBL3971140
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: PT05989, Platelet-derived growth factor receptor beta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000139 A-10 Rattus norvegicus (Rat)  1
1
IC50 = 36 nM
   TI
   LI
   LO
   TS