General Information of the Compound
Compound ID
CP0498122
Compound Name
4-[(4-{3-phenylimidazo[1,2-a]pyridin-7-yl}phenyl)methyl]piperazine-1-carboxamide
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Structure
Formula
C25H25N5O
Molecular Weight
411.509
Canonical SMILES
NC(=O)N1CCN(Cc2ccc(cc2)-c2ccn3c(cnc3c2)-c2ccccc2)CC1
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InChI
InChI=1S/C25H25N5O/c26-25(31)29-14-12-28(13-15-29)18-19-6-8-20(9-7-19)22-10-11-30-23(17-27-24(30)16-22)21-4-2-1-3-5-21/h1-11,16-17H,12-15,18H2,(H2,26,31)
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InChIKey
PSGYMDDKHDKWRJ-UHFFFAOYSA-N
Physicochemical Property
logP
3.8646
Rotatable Bonds
4
Heavy Atom Count
31
Polar Areas
66.87
Hydrogen Bond Donor Count
1
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: 5329349
SID: 15254350
ChEMBL ID
CHEMBL173856
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 = 69 nM
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