General Information of the Compound
Compound ID
CP0410122
Compound Name
4-[3-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine
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Structure
Formula
C21H21ClN6O
Molecular Weight
408.893
Canonical SMILES
Cc1nc2c(nccn2c1-c1cnn(Cc2ccccc2Cl)c1)N1CCOCC1
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InChI
InChI=1S/C21H21ClN6O/c1-15-19(17-12-24-27(14-17)13-16-4-2-3-5-18(16)22)28-7-6-23-20(21(28)25-15)26-8-10-29-11-9-26/h2-7,12,14H,8-11,13H2,1H3
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InChIKey
LKMNLYWDROYDRE-UHFFFAOYSA-N
Physicochemical Property
logP
3.43952
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
60.48
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
Complexity
29

"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: 67448095
ChEMBL ID
CHEMBL3262040
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 = 138.04 nM
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