General Information of the Compound
Compound ID
CP0508069
Compound Name
3-(Cyclopentyloxy)-4-methoxybenzaldehyde O-(2-Morpholin-4-yl-2-oxoethyl)oxime
    Show/Hide
Structure
Formula
C19H26N2O5
Molecular Weight
362.426
Canonical SMILES
COc1ccc(\C=N\OCC(=O)N2CCOCC2)cc1OC1CCCC1
    Show/Hide
InChI
InChI=1S/C19H26N2O5/c1-23-17-7-6-15(12-18(17)26-16-4-2-3-5-16)13-20-25-14-19(22)21-8-10-24-11-9-21/h6-7,12-13,16H,2-5,8-11,14H2,1H3/b20-13+
    Show/Hide
InChIKey
WENFQBHOMWAROR-DEDYPNTBSA-N
Physicochemical Property
logP
2.2259
Rotatable Bonds
7
Heavy Atom Count
26
Polar Areas
69.59
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 44541743
SID: 87223338
ChEMBL ID
CHEMBL572539
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 = 3480 nM
   TI
   LI
   LO
   TS