General Information of the Compound
Compound ID
CP0454484
Compound Name
N-[2-(2,6-dichlorophenyl)ethyl]-2-methyl-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-amine
    Show/Hide
Structure
Formula
C19H21Cl2N5O
Molecular Weight
406.317
Canonical SMILES
Cc1nc2c(nccn2c1NCCc1c(Cl)cccc1Cl)N1CCOCC1
    Show/Hide
InChI
InChI=1S/C19H21Cl2N5O/c1-13-17(22-6-5-14-15(20)3-2-4-16(14)21)26-8-7-23-18(19(26)24-13)25-9-11-27-12-10-25/h2-4,7-8,22H,5-6,9-12H2,1H3
    Show/Hide
InChIKey
HGNWNUHFGYTMKV-UHFFFAOYSA-N
Physicochemical Property
logP
3.83572
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
54.69
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 137644422
ChEMBL ID
CHEMBL4088475
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 = 447 nM
   TI
   LI
   LO
   TS