General Information of the Compound
Compound ID
CP0411634
Compound Name
4-[2-methyl-3-[1-(quinolin-2-ylmethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]morpholine
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Structure
Formula
C24H23N7O
Molecular Weight
425.496
Canonical SMILES
Cc1nc2c(nccn2c1-c1cnn(Cc2ccc3ccccc3n2)c1)N1CCOCC1
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InChI
InChI=1S/C24H23N7O/c1-17-22(31-9-8-25-23(24(31)27-17)29-10-12-32-13-11-29)19-14-26-30(15-19)16-20-7-6-18-4-2-3-5-21(18)28-20/h2-9,14-15H,10-13,16H2,1H3
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InChIKey
XAIHQMIYPOPALA-UHFFFAOYSA-N
Physicochemical Property
logP
3.33432
Rotatable Bonds
4
Heavy Atom Count
32
Polar Areas
73.37
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
8
Complexity
32

"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: 71139236
ChEMBL ID
CHEMBL3262042
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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