General Information of the Compound
Compound ID
CP0508483
Compound Name
4-[3-[6-(2-methoxyethoxy)pyridin-3-yl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine
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Structure
Formula
C19H23N5O3
Molecular Weight
369.425
Canonical SMILES
COCCOc1ccc(cn1)-c1c(C)nc2c(nccn12)N1CCOCC1
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InChI
InChI=1S/C19H23N5O3/c1-14-17(15-3-4-16(21-13-15)27-12-11-25-2)24-6-5-20-18(19(24)22-14)23-7-9-26-10-8-23/h3-6,13H,7-12H2,1-2H3
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InChIKey
LYGKMVBOHZTWKZ-UHFFFAOYSA-N
Physicochemical Property
logP
1.96152
Rotatable Bonds
6
Heavy Atom Count
27
Polar Areas
74.01
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: 53380383
SID: 125302962
ChEMBL ID
CHEMBL3394351
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 = 199.53 nM
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