General Information of the Compound
Compound ID
CP0535095
Compound Name
N-hydroxy-N-[1-(4-phenylmethoxyphenyl)ethyl]benzamide
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Structure
Formula
C22H21NO3
Molecular Weight
347.414
Canonical SMILES
CC(N(O)C(=O)c1ccccc1)c1ccc(OCc2ccccc2)cc1
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InChI
InChI=1S/C22H21NO3/c1-17(23(25)22(24)20-10-6-3-7-11-20)19-12-14-21(15-13-19)26-16-18-8-4-2-5-9-18/h2-15,17,25H,16H2,1H3
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InChIKey
OLPFVKSFFVYYIY-UHFFFAOYSA-N
Physicochemical Property
logP
4.8582
Rotatable Bonds
6
Heavy Atom Count
26
Polar Areas
49.77
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
26

"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: 14156769
ChEMBL ID
CHEMBL300346
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 = 690 nM
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