General Information of the Compound
Compound ID
CP0411635
Compound Name
4-[3-[1-(2-methoxy-2-methylpropyl)pyrazol-4-yl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine
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Structure
Formula
C19H26N6O2
Molecular Weight
370.457
Canonical SMILES
COC(C)(C)Cn1cc(cn1)-c1c(C)nc2c(nccn12)N1CCOCC1
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InChI
InChI=1S/C19H26N6O2/c1-14-16(15-11-21-24(12-15)13-19(2,3)26-4)25-6-5-20-17(18(25)22-14)23-7-9-27-10-8-23/h5-6,11-12H,7-10,13H2,1-4H3
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InChIKey
SYTZFRYNXQMEJE-UHFFFAOYSA-N
Physicochemical Property
logP
2.16282
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
69.71
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
8
Complexity
27

"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: 71138962
ChEMBL ID
CHEMBL3262044
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 = 66.07 nM
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