General Information of the Compound
Compound ID
CP0513732
Compound Name
N-[2-(4-methoxyphenyl)-6-phenylimidazo[1,2-a]pyrazin-8-yl]benzamide
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Structure
Formula
C26H20N4O2
Molecular Weight
420.472
Canonical SMILES
COc1ccc(cc1)-c1cn2cc(nc(NC(=O)c3ccccc3)c2n1)-c1ccccc1
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InChI
InChI=1S/C26H20N4O2/c1-32-21-14-12-19(13-15-21)23-17-30-16-22(18-8-4-2-5-9-18)27-24(25(30)28-23)29-26(31)20-10-6-3-7-11-20/h2-17H,1H3,(H,27,29,31)
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InChIKey
HCXWEYBARNXDBL-UHFFFAOYSA-N
Physicochemical Property
logP
5.3242
Rotatable Bonds
5
Heavy Atom Count
32
Polar Areas
68.52
Hydrogen Bond Donor Count
1
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: 137659308
ChEMBL ID
CHEMBL4099880
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: PT05120, Transmembrane domain-containing protein TMIGD3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 312 nM
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