General Information of the Compound
Compound ID
CP0134158
Compound Name
2-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxyethanamine
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Structure
Formula
C21H22N4O3
Molecular Weight
378.432
Canonical SMILES
COCCOc1ccn2c(cnc2c1)-c1ccc2cccc(OCCN)c2n1
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InChI
InChI=1S/C21H22N4O3/c1-26-11-12-27-16-7-9-25-18(14-23-20(25)13-16)17-6-5-15-3-2-4-19(21(15)24-17)28-10-8-22/h2-7,9,13-14H,8,10-12,22H2,1H3
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InChIKey
XZOOZZGHEVFMAJ-UHFFFAOYSA-N
Physicochemical Property
logP
2.9122
Rotatable Bonds
8
Heavy Atom Count
28
Polar Areas
83.9
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
28

"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: 25094494
SID: 56414102
ChEMBL ID
CHEMBL3109355
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 = 176 nM
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