General Information of the Compound
Compound ID
CP0508280
Compound Name
N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-2-methyl-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-amine
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Structure
Formula
C23H26N6O2
Molecular Weight
418.501
Canonical SMILES
Cc1nc2c(nccn2c1NCc1ccc(cc1)-c1c(C)noc1C)N1CCOCC1
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InChI
InChI=1S/C23H26N6O2/c1-15-20(17(3)31-27-15)19-6-4-18(5-7-19)14-25-21-16(2)26-23-22(24-8-9-29(21)23)28-10-12-30-13-11-28/h4-9,25H,10-14H2,1-3H3
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InChIKey
NZFDZNUNSWWSBV-UHFFFAOYSA-N
Physicochemical Property
logP
3.75826
Rotatable Bonds
5
Heavy Atom Count
31
Polar Areas
80.72
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
8
Complexity
31

"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: 137658687
ChEMBL ID
CHEMBL4101607
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 = 518 nM
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