General Information of the Compound
Compound ID
CP0572483
Compound Name
5,8-dimethyl-2-(2-pyrazin-2-yl-3H-benzimidazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrazine
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Structure
Formula
C18H14N8
Molecular Weight
342.366
Canonical SMILES
Cc1cnc(C)c2nc(nn12)-c1ccc2nc([nH]c2c1)-c1cnccn1
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InChI
InChI=1S/C18H14N8/c1-10-8-21-11(2)18-24-16(25-26(10)18)12-3-4-13-14(7-12)23-17(22-13)15-9-19-5-6-20-15/h3-9H,1-2H3,(H,22,23)
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InChIKey
AMWUVIMAYBKXSF-UHFFFAOYSA-N
Physicochemical Property
logP
2.74144
Rotatable Bonds
2
Heavy Atom Count
26
Polar Areas
97.54
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
26

"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: 118525812
ChEMBL ID
CHEMBL4169173
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: PT01875, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 > 1000 nM
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