General Information of the Compound
Compound ID
CP0455341
Compound Name
N-[2-methoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide
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Structure
Formula
C18H17F3N4O4
Molecular Weight
410.352
Canonical SMILES
COCC(NC(=O)N1CC(=O)Nc2cccnc12)c1ccc(OC(F)(F)F)cc1
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InChI
InChI=1S/C18H17F3N4O4/c1-28-10-14(11-4-6-12(7-5-11)29-18(19,20)21)24-17(27)25-9-15(26)23-13-3-2-8-22-16(13)25/h2-8,14H,9-10H2,1H3,(H,23,26)(H,24,27)
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InChIKey
TYKVIJVZIDLTAG-UHFFFAOYSA-N
Physicochemical Property
logP
2.836
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
92.79
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
29

"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: 89880134
ChEMBL ID
CHEMBL4098223
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 = 19 nM
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