General Information of the Compound
Compound ID
CP0480454
Compound Name
4-[2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]morpholine
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Structure
Formula
C16H17F3N6O
Molecular Weight
366.347
Canonical SMILES
Cc1nc2c(nccn2c1-c1cnn(CC(F)(F)F)c1)N1CCOCC1
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InChI
InChI=1S/C16H17F3N6O/c1-11-13(12-8-21-24(9-12)10-16(17,18)19)25-3-2-20-14(15(25)22-11)23-4-6-26-7-5-23/h2-3,8-9H,4-7,10H2,1H3
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InChIKey
WGEADVUGDMYSLY-UHFFFAOYSA-N
Physicochemical Property
logP
2.30012
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
60.48
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
Complexity
26

"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: 67434438
ChEMBL ID
CHEMBL3262038
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 = 46.77 nM
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