General Information of the Compound
Compound ID
CP0190487
Compound Name
2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-(pyrrolidin-3-ylmethoxy)quinoline
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Structure
Formula
C24H26N4O3
Molecular Weight
418.497
Canonical SMILES
COCCOc1ccn2c(cnc2c1)-c1ccc2cccc(OCC3CCNC3)c2n1
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InChI
InChI=1S/C24H26N4O3/c1-29-11-12-30-19-8-10-28-21(15-26-23(28)13-19)20-6-5-18-3-2-4-22(24(18)27-20)31-16-17-7-9-25-14-17/h2-6,8,10,13,15,17,25H,7,9,11-12,14,16H2,1H3
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InChIKey
IQACVVFBPSXQID-UHFFFAOYSA-N
Physicochemical Property
logP
3.563
Rotatable Bonds
8
Heavy Atom Count
31
Polar Areas
69.91
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
31

"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).

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PubChem ID
CID: 25098432
SID: 56418034
ChEMBL ID
CHEMBL3109350
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 = 1 nM
   TI
   LI
   LO
   TS
2
IC50 = 29 nM
   TI
   LI
   LO
   TS