General Information of the Compound
Compound ID
CP0390082
Compound Name
N-[2-(4-methoxy-2-phenylphenyl)ethyl]-2-methyl-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-amine
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Structure
Formula
C26H29N5O2
Molecular Weight
443.551
Canonical SMILES
COc1ccc(CCNc2c(C)nc3c(nccn23)N2CCOCC2)c(c1)-c1ccccc1
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InChI
InChI=1S/C26H29N5O2/c1-19-24(31-13-12-28-25(26(31)29-19)30-14-16-33-17-15-30)27-11-10-21-8-9-22(32-2)18-23(21)20-6-4-3-5-7-20/h3-9,12-13,18,27H,10-11,14-17H2,1-2H3
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InChIKey
CLWQGFRIAHPLIW-UHFFFAOYSA-N
Physicochemical Property
logP
4.20452
Rotatable Bonds
7
Heavy Atom Count
33
Polar Areas
63.92
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
33

"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: 137650825
ChEMBL ID
CHEMBL4079696
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 = 336 nM
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