General Information of the Compound
Compound ID
CP0372260
Compound Name
1-Ethyl-8-methoxy-3-methyl-4-methylsulfinyl-imidazo[1,5-a]-pyrido[3,2-e]pyrazine
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Structure
Formula
C14H16N4O2S
Molecular Weight
304.375
Canonical SMILES
CCc1nc(C)c2c(nc3ccc(OC)nc3n12)S(C)=O
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InChI
InChI=1S/C14H16N4O2S/c1-5-10-15-8(2)12-14(21(4)19)16-9-6-7-11(20-3)17-13(9)18(10)12/h6-7H,5H2,1-4H3
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InChIKey
CONCXQYRMKATOR-UHFFFAOYSA-N
Physicochemical Property
logP
1.89432
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
69.38
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
21

"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: 24805204
SID: 49751403
ChEMBL ID
CHEMBL1084007
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 = 284 nM
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