General Information of the Compound
Compound ID
CP0463325
Compound Name
8-Methoxy-3-methyl-4-methylsulfonyl-1-propyl-imidazo[1,5-a]-pyrido[3,2-e]pyrazine
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Structure
Formula
C15H18N4O3S
Molecular Weight
334.401
Canonical SMILES
CCCc1nc(C)c2c(nc3ccc(OC)nc3n12)S(C)(=O)=O
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InChI
InChI=1S/C15H18N4O3S/c1-5-6-11-16-9(2)13-15(23(4,20)21)17-10-7-8-12(22-3)18-14(10)19(11)13/h7-8H,5-6H2,1-4H3
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InChIKey
OQCOTUFOPUUTPJ-UHFFFAOYSA-N
Physicochemical Property
logP
1.95052
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
86.45
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
Complexity
23

"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: 24805202
SID: 49751401
ChEMBL ID
CHEMBL1083399
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 = 23.3 nM
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