General Information of the Compound
Compound ID
CP0201309
Compound Name
2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-[(3R,4R)-4-methoxypyrrolidin-3-yl]oxyquinoline
    Show/Hide
Structure
Formula
C24H26N4O4
Molecular Weight
434.496
Canonical SMILES
COCCOc1ccn2c(cnc2c1)-c1ccc2cccc(O[C@@H]3CNC[C@H]3OC)c2n1
    Show/Hide
InChI
InChI=1S/C24H26N4O4/c1-29-10-11-31-17-8-9-28-19(13-26-23(28)12-17)18-7-6-16-4-3-5-20(24(16)27-18)32-22-15-25-14-21(22)30-2/h3-9,12-13,21-22,25H,10-11,14-15H2,1-2H3/t21-,22-/m1/s1
    Show/Hide
InChIKey
NQOAYTFDSNONAL-FGZHOGPDSA-N
Physicochemical Property
logP
2.9403
Rotatable Bonds
8
Heavy Atom Count
32
Polar Areas
79.14
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
8
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: 25094492
SID: 56414100
ChEMBL ID
CHEMBL3109351
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: PT00832, Platelet-derived growth factor receptor beta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000035 NIH 3T3 Mus musculus (Mouse)  2
1
IC50 = 10 nM
   TI
   LI
   LO
   TS
2
IC50 > 1000 nM
   TI
   LI
   LO
   TS