General Information of the Compound
Compound ID
CP0411633
Compound Name
4-[2-cyclopropyl-3-[1-(2-methoxyethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]morpholine
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Structure
Formula
C19H24N6O2
Molecular Weight
368.441
Canonical SMILES
COCCn1cc(cn1)-c1c(nc2c(nccn12)N1CCOCC1)C1CC1
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InChI
InChI=1S/C19H24N6O2/c1-26-9-8-24-13-15(12-21-24)17-16(14-2-3-14)22-19-18(20-4-5-25(17)19)23-6-10-27-11-7-23/h4-5,12-14H,2-3,6-11H2,1H3
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InChIKey
VKEPVDVGTWOJEG-UHFFFAOYSA-N
Physicochemical Property
logP
1.9532
Rotatable Bonds
6
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: 67424649
ChEMBL ID
CHEMBL3262031
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 = 53.7 nM
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