General Information of the Compound
Compound ID
CP0546410
Compound Name
3-[(Z)-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylideneamino]oxy-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
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Formula
C23H34N2O5
Molecular Weight
418.534
Canonical SMILES
COc1ccc(cc1OC1CCCC1)C(\C)=N/OCCC(=O)N1CC(C)OC(C)C1
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InChI
InChI=1S/C23H34N2O5/c1-16-14-25(15-17(2)29-16)23(26)11-12-28-24-18(3)19-9-10-21(27-4)22(13-19)30-20-7-5-6-8-20/h9-10,13,16-17,20H,5-8,11-12,14-15H2,1-4H3/b24-18-
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InChIKey
AIYPQDWWPAHXLY-MOHJPFBDSA-N
Physicochemical Property
logP
3.7831
Rotatable Bonds
8
Heavy Atom Count
30
Polar Areas
69.59
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
30

"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
CHEMBL4868872
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 = 3600 nM
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