General Information of the Compound
Compound ID
CP0410515
Compound Name
N-hydroxy-N-methyl-2-(4-nitrophenoxy)propanamide
    Show/Hide
Structure
Formula
C10H12N2O5
Molecular Weight
240.215
Canonical SMILES
CC(Oc1ccc(cc1)[N+]([O-])=O)C(=O)N(C)O
    Show/Hide
InChI
InChI=1S/C10H12N2O5/c1-7(10(13)11(2)14)17-9-5-3-8(4-6-9)12(15)16/h3-7,14H,1-2H3
    Show/Hide
InChIKey
LSIAYBXAIDVLLZ-UHFFFAOYSA-N
Physicochemical Property
logP
1.2097
Rotatable Bonds
4
Heavy Atom Count
17
Polar Areas
92.91
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
17

"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: 44386649
ChEMBL ID
CHEMBL367402
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 = 14000 nM
   TI
   LI
   LO
   TS