General Information of the Compound
Compound ID
CP0414691
Compound Name
4-[3-[6-(2-methoxy-2-methylpropyl)pyridin-3-yl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine
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Structure
Formula
C21H27N5O2
Molecular Weight
381.48
Canonical SMILES
COC(C)(C)Cc1ccc(cn1)-c1c(C)nc2c(nccn12)N1CCOCC1
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InChI
InChI=1S/C21H27N5O2/c1-15-18(16-5-6-17(23-14-16)13-21(2,3)27-4)26-8-7-22-19(20(26)24-15)25-9-11-28-12-10-25/h5-8,14H,9-13H2,1-4H3
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InChIKey
LKASIFUXVDVWSE-UHFFFAOYSA-N
Physicochemical Property
logP
2.90382
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
64.78
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
Complexity
28

"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: 67425050
ChEMBL ID
CHEMBL3394347
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 = 141.25 nM
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