General Information of the Compound
Compound ID
CP0379802
Compound Name
4-[3-(6-ethylpyridin-3-yl)-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine
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Structure
Formula
C18H21N5O
Molecular Weight
323.4
Canonical SMILES
CCc1ccc(cn1)-c1c(C)nc2c(nccn12)N1CCOCC1
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InChI
InChI=1S/C18H21N5O/c1-3-15-5-4-14(12-20-15)16-13(2)21-18-17(19-6-7-23(16)18)22-8-10-24-11-9-22/h4-7,12H,3,8-11H2,1-2H3
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InChIKey
ALEBMOUXYDXCNP-UHFFFAOYSA-N
Physicochemical Property
logP
2.49872
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
55.55
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
24

"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: 67425321
ChEMBL ID
CHEMBL3394346
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 = 190.55 nM
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