General Information of the Compound
Compound ID
CP0457757
Compound Name
N-(2,6-diphenylimidazo[1,2-a]pyrazin-8-yl)pyridine-3-carboxamide
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Structure
Formula
C24H17N5O
Molecular Weight
391.434
Canonical SMILES
O=C(Nc1nc(cn2cc(nc12)-c1ccccc1)-c1ccccc1)c1cccnc1
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InChI
InChI=1S/C24H17N5O/c30-24(19-12-7-13-25-14-19)28-22-23-27-21(18-10-5-2-6-11-18)16-29(23)15-20(26-22)17-8-3-1-4-9-17/h1-16H,(H,26,28,30)
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InChIKey
QFDXEBQTCRYVFW-UHFFFAOYSA-N
Physicochemical Property
logP
4.7106
Rotatable Bonds
4
Heavy Atom Count
30
Polar Areas
72.18
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
30

"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: 137633680
ChEMBL ID
CHEMBL4069012
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 = 172 nM
   TI
   LI
   LO
   TS
2
Ki = 54 nM
   TI
   LI
   LO
   TS