General Information of the Compound
Compound ID
CP0524017
Compound Name
4,8-Dimethoxy-1,3-dimethyl-imidazo[1,5-a]pyrido[3,2-e]pyrazine
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Structure
Formula
C13H14N4O2
Molecular Weight
258.281
Canonical SMILES
COc1ccc2nc(OC)c3c(C)nc(C)n3c2n1
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InChI
InChI=1S/C13H14N4O2/c1-7-11-13(19-4)15-9-5-6-10(18-3)16-12(9)17(11)8(2)14-7/h5-6H,1-4H3
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InChIKey
NCBYYDZKSVRZTP-UHFFFAOYSA-N
Physicochemical Property
logP
1.91154
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
61.54
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
19

"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: 24804538
SID: 49750672
ChEMBL ID
CHEMBL1083776
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
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 270 nM
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