General Information of the Compound
Compound ID
CP0497678
Compound Name
N-[1-(4-butoxyphenyl)ethyl]-N-hydroxybenzamide
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Structure
Formula
C19H23NO3
Molecular Weight
313.397
Canonical SMILES
CCCCOc1ccc(cc1)C(C)N(O)C(=O)c1ccccc1
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InChI
InChI=1S/C19H23NO3/c1-3-4-14-23-18-12-10-16(11-13-18)15(2)20(22)19(21)17-8-6-5-7-9-17/h5-13,15,22H,3-4,14H2,1-2H3
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InChIKey
JSRSRWWTEKLKJE-UHFFFAOYSA-N
Physicochemical Property
logP
4.4581
Rotatable Bonds
7
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: 14156770
ChEMBL ID
CHEMBL61719
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 = 1300 nM
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