General Information of the Compound
Compound ID
CP0511159
Compound Name
N-hydroxy-N-[1-(3-phenylmethoxyphenyl)ethyl]benzamide
    Show/Hide
Structure
Formula
C22H21NO3
Molecular Weight
347.414
Canonical SMILES
CC(N(O)C(=O)c1ccccc1)c1cccc(OCc2ccccc2)c1
    Show/Hide
InChI
InChI=1S/C22H21NO3/c1-17(23(25)22(24)19-11-6-3-7-12-19)20-13-8-14-21(15-20)26-16-18-9-4-2-5-10-18/h2-15,17,25H,16H2,1H3
    Show/Hide
InChIKey
PRTQOWHEONLOCF-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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 44302081
ChEMBL ID
CHEMBL293413
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 = 330 nM
   TI
   LI
   LO
   TS