General Information of the Compound
Compound ID
CP0393519
Compound Name
N-hydroxy-N-[1-(2-phenoxyphenyl)ethyl]benzamide
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Structure
Formula
C21H19NO3
Molecular Weight
333.387
Canonical SMILES
CC(N(O)C(=O)c1ccccc1)c1ccccc1Oc1ccccc1
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InChI
InChI=1S/C21H19NO3/c1-16(22(24)21(23)17-10-4-2-5-11-17)19-14-8-9-15-20(19)25-18-12-6-3-7-13-18/h2-16,24H,1H3
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InChIKey
TYLCTLINRMWDTM-UHFFFAOYSA-N
Physicochemical Property
logP
5.0715
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
49.77
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
25

"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: 44302323
ChEMBL ID
CHEMBL294725
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 = 760 nM
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