General Information of the Compound
Compound ID
CP0447864
Compound Name
N-hydroxy-N-[1-[4-[(E)-2-phenylethenyl]phenyl]ethyl]acetamide
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Structure
Formula
C18H19NO2
Molecular Weight
281.355
Canonical SMILES
CC(N(O)C(C)=O)c1ccc(\C=C\c2ccccc2)cc1
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InChI
InChI=1S/C18H19NO2/c1-14(19(21)15(2)20)18-12-10-17(11-13-18)9-8-16-6-4-3-5-7-16/h3-14,21H,1-2H3/b9-8+
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InChIKey
DJTKZXWZMWHUDH-CMDGGOBGSA-N
Physicochemical Property
logP
4.1557
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
40.54
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
21

"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: 14156803
ChEMBL ID
CHEMBL61360
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 = 290 nM
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