General Information of the Compound
Compound ID
CP0074046
Compound Name
N-[[4-(3,4-dimethoxyphenyl)phenyl]methyl]-2-methyl-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-amine
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Structure
Formula
C26H29N5O3
Molecular Weight
459.55
Canonical SMILES
COc1ccc(cc1OC)-c1ccc(CNc2c(C)nc3c(nccn23)N2CCOCC2)cc1
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InChI
InChI=1S/C26H29N5O3/c1-18-24(31-11-10-27-25(26(31)29-18)30-12-14-34-15-13-30)28-17-19-4-6-20(7-5-19)21-8-9-22(32-2)23(16-21)33-3/h4-11,16,28H,12-15,17H2,1-3H3
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InChIKey
LHPOEXVSMREVBK-UHFFFAOYSA-N
Physicochemical Property
logP
4.17062
Rotatable Bonds
7
Heavy Atom Count
34
Polar Areas
73.15
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
8
Complexity
34

"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: 137655649
ChEMBL ID
CHEMBL4093877
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: PT01875, 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 = 452 nM
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