General Information of the Compound
Compound ID
CP0074199
Compound Name
3-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxy-2,2-dimethylpropan-1-amine
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Structure
Formula
C24H28N4O3
Molecular Weight
420.513
Canonical SMILES
COCCOc1ccn2c(cnc2c1)-c1ccc2cccc(OCC(C)(C)CN)c2n1
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InChI
InChI=1S/C24H28N4O3/c1-24(2,15-25)16-31-21-6-4-5-17-7-8-19(27-23(17)21)20-14-26-22-13-18(9-10-28(20)22)30-12-11-29-3/h4-10,13-14H,11-12,15-16,25H2,1-3H3
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InChIKey
OEQLYHXNGSLNQN-UHFFFAOYSA-N
Physicochemical Property
logP
3.9384
Rotatable Bonds
9
Heavy Atom Count
31
Polar Areas
83.9
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: 25098154
SID: 56417763
ChEMBL ID
CHEMBL3109339
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)  1
1
IC50 = 18 nM
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