General Information of the Compound
Compound ID
CP0553665
Compound Name
N-[1-(4-cyclopropylphenyl)propyl]-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide
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Structure
Formula
C20H22N4O2
Molecular Weight
350.422
Canonical SMILES
CCC(NC(=O)N1CC(=O)Nc2cccnc12)c1ccc(cc1)C1CC1
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InChI
InChI=1S/C20H22N4O2/c1-2-16(15-9-7-14(8-10-15)13-5-6-13)23-20(26)24-12-18(25)22-17-4-3-11-21-19(17)24/h3-4,7-11,13,16H,2,5-6,12H2,1H3,(H,22,25)(H,23,26)
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InChIKey
RTAWJAGHOPBLCR-UHFFFAOYSA-N
Physicochemical Property
logP
3.5784
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
74.33
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
26

"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: 89880131
ChEMBL ID
CHEMBL4094525
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 = 80 nM
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