General Information of the Compound
Compound ID
CP0505701
Compound Name
1-(3-hydroxypropyl)-4-{3-phenylimidazo[1,2-a]pyridin-7-yl}-1,2-dihydropyridin-2-one
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Structure
Formula
C21H19N3O2
Molecular Weight
345.402
Canonical SMILES
OCCCn1ccc(cc1=O)-c1ccn2c(cnc2c1)-c1ccccc1
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InChI
InChI=1S/C21H19N3O2/c25-12-4-9-23-10-7-18(14-21(23)26)17-8-11-24-19(15-22-20(24)13-17)16-5-2-1-3-6-16/h1-3,5-8,10-11,13-15,25H,4,9,12H2
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InChIKey
QBSPFMQZFBZDMD-UHFFFAOYSA-N
Physicochemical Property
logP
3.2124
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
59.53
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
26

"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: 5329352
SID: 15398140
ChEMBL ID
CHEMBL171188
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 = 120 nM
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