General Information of the Compound
Compound ID
CP0549710
Compound Name
4-[3-(1-ethylpyrazol-4-yl)-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine
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Structure
Formula
C16H20N6O
Molecular Weight
312.377
Canonical SMILES
CCn1cc(cn1)-c1c(C)nc2c(nccn12)N1CCOCC1
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InChI
InChI=1S/C16H20N6O/c1-3-21-11-13(10-18-21)14-12(2)19-16-15(17-4-5-22(14)16)20-6-8-23-9-7-20/h4-5,10-11H,3,6-9H2,1-2H3
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InChIKey
CLDKOZVMQWYODH-UHFFFAOYSA-N
Physicochemical Property
logP
1.75772
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
60.48
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
Complexity
23

"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: 67424613
ChEMBL ID
CHEMBL3262035
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 = 234.42 nM
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