General Information of the Compound
Compound ID
CP0488686
Compound Name
4-[2-methyl-3-[6-(2-methylpropyl)pyridin-3-yl]imidazo[1,2-a]pyrazin-8-yl]morpholine
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Structure
Formula
C20H25N5O
Molecular Weight
351.454
Canonical SMILES
CC(C)Cc1ccc(cn1)-c1c(C)nc2c(nccn12)N1CCOCC1
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InChI
InChI=1S/C20H25N5O/c1-14(2)12-17-5-4-16(13-22-17)18-15(3)23-20-19(21-6-7-25(18)20)24-8-10-26-11-9-24/h4-7,13-14H,8-12H2,1-3H3
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InChIKey
ZATRGTBLBNRSEM-UHFFFAOYSA-N
Physicochemical Property
logP
3.13482
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
55.55
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: 67415193
ChEMBL ID
CHEMBL3394354
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 = 181.97 nM
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