General Information of the Compound
Compound ID
CP0256870
Compound Name
2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-(1-methylpiperidin-4-yl)oxyquinoline
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Structure
Formula
C25H28N4O3
Molecular Weight
432.524
Canonical SMILES
COCCOc1ccn2c(cnc2c1)-c1ccc2cccc(OC3CCN(C)CC3)c2n1
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InChI
InChI=1S/C25H28N4O3/c1-28-11-8-19(9-12-28)32-23-5-3-4-18-6-7-21(27-25(18)23)22-17-26-24-16-20(10-13-29(22)24)31-15-14-30-2/h3-7,10,13,16-17,19H,8-9,11-12,14-15H2,1-2H3
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InChIKey
XZMAHDRRCQRMHC-UHFFFAOYSA-N
Physicochemical Property
logP
4.0477
Rotatable Bonds
7
Heavy Atom Count
32
Polar Areas
61.12
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
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).

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PubChem ID
CID: 59176348
ChEMBL ID
CHEMBL3109341
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 = 9 nM
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