General Information of the Compound
Compound ID
CP0378901
Compound Name
N-(2,6-diphenylimidazo[1,2-a]pyrazin-8-yl)-4-methoxybenzamide
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Structure
Formula
C26H20N4O2
Molecular Weight
420.472
Canonical SMILES
COc1ccc(cc1)C(=O)Nc1nc(cn2cc(nc12)-c1ccccc1)-c1ccccc1
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InChI
InChI=1S/C26H20N4O2/c1-32-21-14-12-20(13-15-21)26(31)29-24-25-28-23(19-10-6-3-7-11-19)17-30(25)16-22(27-24)18-8-4-2-5-9-18/h2-17H,1H3,(H,27,29,31)
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InChIKey
WDWAXYOZVLEGOK-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: 137633669
ChEMBL ID
CHEMBL4068878
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)  2
1
IC50 = 73 nM
   TI
   LI
   LO
   TS
2
Ki = 25 nM
   TI
   LI
   LO
   TS