General Information of the Compound
Compound ID
CP0048656
Compound Name
4-[3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
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Structure
Formula
C19H22N4O4
Molecular Weight
370.409
Canonical SMILES
COc1cc(cc(OC)c1OC)-c1cnc2c(nccn12)N1CCOCC1
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InChI
InChI=1S/C19H22N4O4/c1-24-15-10-13(11-16(25-2)17(15)26-3)14-12-21-19-18(20-4-5-23(14)19)22-6-8-27-9-7-22/h4-5,10-12H,6-9H2,1-3H3
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InChIKey
XUVQDOKJUZEZAL-UHFFFAOYSA-N
Physicochemical Property
logP
2.2587
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
70.35
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
8
Complexity
27

"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: 68654838
ChEMBL ID
CHEMBL3262027
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 = 158.49 nM
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