General Information of the Compound
Compound ID
CP0487511
Compound Name
1-{3-[(2-methoxyethyl)(methyl)amino]propyl}-4-{3-phenylimidazo[1,2-a]pyridin-7-yl}-1,2-dihydropyridin-2-one
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Structure
Formula
C25H28N4O2
Molecular Weight
416.525
Canonical SMILES
COCCN(C)CCCn1ccc(cc1=O)-c1ccn2c(cnc2c1)-c1ccccc1
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InChI
InChI=1S/C25H28N4O2/c1-27(15-16-31-2)11-6-12-28-13-9-22(18-25(28)30)21-10-14-29-23(19-26-24(29)17-21)20-7-4-3-5-8-20/h3-5,7-10,13-14,17-19H,6,11-12,15-16H2,1-2H3
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InChIKey
SRABJUKJOIVQMS-UHFFFAOYSA-N
Physicochemical Property
logP
3.7983
Rotatable Bonds
9
Heavy Atom Count
31
Polar Areas
51.77
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
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: 5329353
ChEMBL ID
CHEMBL171736
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: PT00864, Vascular endothelial growth factor receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 96 nM
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