General Information of the Compound
Compound ID
CP0480467
Compound Name
N-hydroxy-N-[2-[4-(1-phenoxyethyl)phenoxy]ethyl]acetamide
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Structure
Formula
C18H21NO4
Molecular Weight
315.369
Canonical SMILES
CC(Oc1ccccc1)c1ccc(OCCN(O)C(C)=O)cc1
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InChI
InChI=1S/C18H21NO4/c1-14(23-18-6-4-3-5-7-18)16-8-10-17(11-9-16)22-13-12-19(21)15(2)20/h3-11,14,21H,12-13H2,1-2H3
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InChIKey
DABMESGOUWPKJX-UHFFFAOYSA-N
Physicochemical Property
logP
3.4431
Rotatable Bonds
7
Heavy Atom Count
23
Polar Areas
59
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
23

"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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PubChem ID
CID: 44301932
ChEMBL ID
CHEMBL58049
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: PT01743, Polyunsaturated fatty acid 5-lipoxygenase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000194 RBL-1 Rattus norvegicus (Rat)  1
1
IC50 = 460 nM
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