General Information of the Compound
Compound ID
CP0476922
Compound Name
2-[2-(3,5-dimethoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
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Structure
Formula
C21H19N7O2
Molecular Weight
401.43
Canonical SMILES
COc1cc(OC)cc(c1)-c1cn2ccc(nc2n1)-c1nc2c(C)ncc(C)n2n1
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InChI
InChI=1S/C21H19N7O2/c1-12-10-22-13(2)20-25-19(26-28(12)20)17-5-6-27-11-18(24-21(27)23-17)14-7-15(29-3)9-16(8-14)30-4/h5-11H,1-4H3
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InChIKey
MWOOMUVRYQOVFJ-UHFFFAOYSA-N
Physicochemical Property
logP
3.13504
Rotatable Bonds
4
Heavy Atom Count
30
Polar Areas
91.73
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
9
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: 145974821
ChEMBL ID
CHEMBL4176888
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 > 280 nM
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