General Information of the Compound
Compound ID
CP0495150
Compound Name
N-hydroxy-N-[2-methyl-1-(4-phenylmethoxyphenyl)propyl]acetamide
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Structure
Formula
C19H23NO3
Molecular Weight
313.397
Canonical SMILES
CC(C)C(N(O)C(C)=O)c1ccc(OCc2ccccc2)cc1
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InChI
InChI=1S/C19H23NO3/c1-14(2)19(20(22)15(3)21)17-9-11-18(12-10-17)23-13-16-7-5-4-6-8-16/h4-12,14,19,22H,13H2,1-3H3
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InChIKey
FIHAHFAEXHISQH-UHFFFAOYSA-N
Physicochemical Property
logP
4.2004
Rotatable Bonds
6
Heavy Atom Count
23
Polar Areas
49.77
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 14156773
ChEMBL ID
CHEMBL59841
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 = 780 nM
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