General Information of the Compound
Compound ID
CP0549709
Compound Name
4-[2-methoxy-3-[1-(2-methoxyethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]morpholine
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Structure
Formula
C17H22N6O3
Molecular Weight
358.402
Canonical SMILES
COCCn1cc(cn1)-c1c(OC)nc2c(nccn12)N1CCOCC1
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InChI
InChI=1S/C17H22N6O3/c1-24-8-7-22-12-13(11-19-22)14-17(25-2)20-16-15(18-3-4-23(14)16)21-5-9-26-10-6-21/h3-4,11-12H,5-10H2,1-2H3
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InChIKey
SKVLFPMGCCPWDX-UHFFFAOYSA-N
Physicochemical Property
logP
1.0844
Rotatable Bonds
6
Heavy Atom Count
26
Polar Areas
78.94
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
9
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: 71138975
ChEMBL ID
CHEMBL3262034
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 = 257.04 nM
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