General Information of the Compound
Compound ID
CP0419173
Compound Name
2-[(Z)-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylideneamino]oxy-1-(2,6-dimethylmorpholin-4-yl)ethanone
    Show/Hide
Formula
C22H32N2O5
Molecular Weight
404.507
Canonical SMILES
COc1ccc(cc1OC1CCCC1)C(\C)=N/OCC(=O)N1CC(C)OC(C)C1
    Show/Hide
InChI
InChI=1S/C22H32N2O5/c1-15-12-24(13-16(2)28-15)22(25)14-27-23-17(3)18-9-10-20(26-4)21(11-18)29-19-7-5-6-8-19/h9-11,15-16,19H,5-8,12-14H2,1-4H3/b23-17-
    Show/Hide
InChIKey
FNQKMGFRSDCOQF-QJOMJCCJSA-N
Physicochemical Property
logP
3.393
Rotatable Bonds
7
Heavy Atom Count
29
Polar Areas
69.59
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
ChEMBL ID
CHEMBL4862157
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: PT01538, 3',5'-cyclic-AMP phosphodiesterase 4D
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 470 nM
   TI
   LI
   LO
   TS