General Information of the Compound
Compound ID
CP0455326
Compound Name
N-[2-(2-bromo-4-methoxyphenyl)ethyl]-2-methyl-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-amine
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Structure
Formula
C20H24BrN5O2
Molecular Weight
446.349
Canonical SMILES
COc1ccc(CCNc2c(C)nc3c(nccn23)N2CCOCC2)c(Br)c1
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InChI
InChI=1S/C20H24BrN5O2/c1-14-18(22-6-5-15-3-4-16(27-2)13-17(15)21)26-8-7-23-19(20(26)24-14)25-9-11-28-12-10-25/h3-4,7-8,13,22H,5-6,9-12H2,1-2H3
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InChIKey
AKOIZULKKAEICR-UHFFFAOYSA-N
Physicochemical Property
logP
3.30002
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
63.92
Hydrogen Bond Donor Count
1
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: 137633676
ChEMBL ID
CHEMBL4068918
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: PT01875, 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 = 243 nM
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