General Information of the Compound
Compound ID
CP0508598
Compound Name
1-{4-[(4-{3-phenylimidazo[1,2-a]pyridin-7-yl}phenyl)methyl]piperazin-1-yl}ethan-1-one
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Structure
Formula
C26H26N4O
Molecular Weight
410.521
Canonical SMILES
CC(=O)N1CCN(Cc2ccc(cc2)-c2ccn3c(cnc3c2)-c2ccccc2)CC1
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InChI
InChI=1S/C26H26N4O/c1-20(31)29-15-13-28(14-16-29)19-21-7-9-22(10-8-21)24-11-12-30-25(18-27-26(30)17-24)23-5-3-2-4-6-23/h2-12,17-18H,13-16,19H2,1H3
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InChIKey
PZCCLKSEMKLKJW-UHFFFAOYSA-N
Physicochemical Property
logP
4.3324
Rotatable Bonds
4
Heavy Atom Count
31
Polar Areas
40.85
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
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: 5329347
SID: 15254299
ChEMBL ID
CHEMBL173550
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 = 77 nM
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