General Information of the Compound
Compound ID
CP0565241
Compound Name
N'-[3-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-4-propoxyphenyl]oxamide
    Show/Hide
Structure
Formula
C19H24N4O4
Molecular Weight
372.425
Canonical SMILES
CCCOc1ccc(NC(=O)C(N)=O)cc1-c1nc(CC)c(CC)c(=O)[nH]1
    Show/Hide
InChI
InChI=1S/C19H24N4O4/c1-4-9-27-15-8-7-11(21-19(26)16(20)24)10-13(15)17-22-14(6-3)12(5-2)18(25)23-17/h7-8,10H,4-6,9H2,1-3H3,(H2,20,24)(H,21,26)(H,22,23,25)
    Show/Hide
InChIKey
AWQABYRDZAZRRY-UHFFFAOYSA-N
Physicochemical Property
logP
1.7743
Rotatable Bonds
7
Heavy Atom Count
27
Polar Areas
127.17
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
27

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 136197281
ChEMBL ID
CHEMBL4444940
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: PT01176, cGMP-specific 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 = 0.83 nM
   TI
   LI
   LO
   TS