General Information of the Compound
Compound ID
CP0376346
Compound Name
1-methanesulfonyl-4-[(4-{3-phenylimidazo[1,2-a]pyridin-7-yl}phenyl)methyl]piperazine
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Structure
Formula
C25H26N4O2S
Molecular Weight
446.576
Canonical SMILES
CS(=O)(=O)N1CCN(Cc2ccc(cc2)-c2ccn3c(cnc3c2)-c2ccccc2)CC1
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InChI
InChI=1S/C25H26N4O2S/c1-32(30,31)28-15-13-27(14-16-28)19-20-7-9-21(10-8-20)23-11-12-29-24(18-26-25(29)17-23)22-5-3-2-4-6-22/h2-12,17-18H,13-16,19H2,1H3
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InChIKey
VICXPDHKANRRSW-UHFFFAOYSA-N
Physicochemical Property
logP
3.7455
Rotatable Bonds
5
Heavy Atom Count
32
Polar Areas
57.92
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
32

"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: 5329350
SID: 15478027
ChEMBL ID
CHEMBL366452
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 = 13 nM
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