General Information of the Compound
Compound ID
CP0475342
Compound Name
N-[1-(4-methoxyphenyl)propyl]-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide
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Structure
Formula
C18H20N4O3
Molecular Weight
340.383
Canonical SMILES
CCC(NC(=O)N1CC(=O)Nc2cccnc12)c1ccc(OC)cc1
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InChI
InChI=1S/C18H20N4O3/c1-3-14(12-6-8-13(25-2)9-7-12)21-18(24)22-11-16(23)20-15-5-4-10-19-17(15)22/h4-10,14H,3,11H2,1-2H3,(H,20,23)(H,21,24)
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InChIKey
YTTWZMMUOYNEQY-UHFFFAOYSA-N
Physicochemical Property
logP
2.7096
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
83.56
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
25

"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: 117949430
ChEMBL ID
CHEMBL4072924
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: PT02047, cGMP-dependent 3',5'-cyclic phosphodiesterase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 610 nM
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