General Information of the Compound
Compound ID
CP0258059
Compound Name
8-(1H-imidazol-5-ylmethoxy)-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline
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Structure
Formula
C23H21N5O3
Molecular Weight
415.453
Canonical SMILES
COCCOc1ccn2c(cnc2c1)-c1ccc2cccc(OCc3cnc[nH]3)c2n1
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InChI
InChI=1S/C23H21N5O3/c1-29-9-10-30-18-7-8-28-20(13-25-22(28)11-18)19-6-5-16-3-2-4-21(23(16)27-19)31-14-17-12-24-15-26-17/h2-8,11-13,15H,9-10,14H2,1H3,(H,24,26)
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InChIKey
KYRLPQPTPSJHJM-UHFFFAOYSA-N
Physicochemical Property
logP
3.8768
Rotatable Bonds
8
Heavy Atom Count
31
Polar Areas
86.56
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: 76328399
ChEMBL ID
CHEMBL3109354
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 > 1000 nM
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