General Information of the Compound
Compound ID
CP0413071
Compound Name
N-hydroxy-N-[1-[4-(2-methyl-1-phenylpropoxy)phenyl]ethyl]acetamide
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Structure
Formula
C20H25NO3
Molecular Weight
327.424
Canonical SMILES
CC(C)C(Oc1ccc(cc1)C(C)N(O)C(C)=O)c1ccccc1
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InChI
InChI=1S/C20H25NO3/c1-14(2)20(18-8-6-5-7-9-18)24-19-12-10-17(11-13-19)15(3)21(23)16(4)22/h5-15,20,23H,1-4H3
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InChIKey
MHHHSOGJMNENJZ-UHFFFAOYSA-N
Physicochemical Property
logP
4.7614
Rotatable Bonds
6
Heavy Atom Count
24
Polar Areas
49.77
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 14156784
ChEMBL ID
CHEMBL59334
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 = 610 nM
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