General Information of the Compound
Compound ID
CP0559177
Compound Name
2-[(Z)-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylideneamino]oxy-1-morpholin-4-ylethanone
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Formula
C20H28N2O5
Molecular Weight
376.453
Canonical SMILES
COc1ccc(cc1OC1CCCC1)C(\C)=N/OCC(=O)N1CCOCC1
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InChI
InChI=1S/C20H28N2O5/c1-15(21-26-14-20(23)22-9-11-25-12-10-22)16-7-8-18(24-2)19(13-16)27-17-5-3-4-6-17/h7-8,13,17H,3-6,9-12,14H2,1-2H3/b21-15-
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InChIKey
AXJHJFZCYOVDMB-QNGOZBTKSA-N
Physicochemical Property
logP
2.616
Rotatable Bonds
7
Heavy Atom Count
27
Polar Areas
69.59
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
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).

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ChEMBL ID
CHEMBL4853419
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 = 160 nM
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