General Information of the Compound
Compound ID
CP0514191
Compound Name
3,4-Dimethyl-1-propyl-imidazo[1,5-a]pyrido[3,2-e]pyrazine
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Structure
Formula
C14H16N4
Molecular Weight
240.31
Canonical SMILES
CCCc1nc(C)c2c(C)nc3cccnc3n12
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InChI
InChI=1S/C14H16N4/c1-4-6-12-17-10(3)13-9(2)16-11-7-5-8-15-14(11)18(12)13/h5,7-8H,4,6H2,1-3H3
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InChIKey
OTEGQHZFWMDYKX-UHFFFAOYSA-N
Physicochemical Property
logP
2.84684
Rotatable Bonds
2
Heavy Atom Count
18
Polar Areas
43.08
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
18

"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: 24803049
SID: 49749189
ChEMBL ID
CHEMBL1086112
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 = 32.5 nM
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