General Information of the Compound
Compound ID
CP0480453
Compound Name
4-[3-[1-(cyclopropylmethyl)pyrazol-4-yl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine
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Structure
Formula
C18H22N6O
Molecular Weight
338.415
Canonical SMILES
Cc1nc2c(nccn2c1-c1cnn(CC2CC2)c1)N1CCOCC1
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InChI
InChI=1S/C18H22N6O/c1-13-16(15-10-20-23(12-15)11-14-2-3-14)24-5-4-19-17(18(24)21-13)22-6-8-25-9-7-22/h4-5,10,12,14H,2-3,6-9,11H2,1H3
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InChIKey
ZWANELLPCYSXBD-UHFFFAOYSA-N
Physicochemical Property
logP
2.14782
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
60.48
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
Complexity
25

"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: 71138947
ChEMBL ID
CHEMBL3259842
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 = 64.57 nM
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