General Information of the Compound
Compound ID
CP0480570
Compound Name
3-[6-(2-methoxyethyl)pyridin-3-yl]-2-methyl-8-pyridin-4-ylimidazo[1,2-a]pyrazine
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Structure
Formula
C20H19N5O
Molecular Weight
345.406
Canonical SMILES
COCCc1ccc(cn1)-c1c(C)nc2c(nccn12)-c1ccncc1
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InChI
InChI=1S/C20H19N5O/c1-14-19(16-3-4-17(23-13-16)7-12-26-2)25-11-10-22-18(20(25)24-14)15-5-8-21-9-6-15/h3-6,8-11,13H,7,12H2,1-2H3
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InChIKey
CHAFKXJKZXIAJZ-UHFFFAOYSA-N
Physicochemical Property
logP
3.35062
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
65.2
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
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: 53380382
SID: 125302961
ChEMBL ID
CHEMBL3394365
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: PT02512, 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 = 346.74 nM
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