General Information of the Compound
Compound ID
CP0437681
Compound Name
N-hydroxy-N-methyl-2-(4-propan-2-yloxyphenyl)propanamide
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Structure
Formula
C13H19NO3
Molecular Weight
237.299
Canonical SMILES
CC(C)Oc1ccc(cc1)C(C)C(=O)N(C)O
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InChI
InChI=1S/C13H19NO3/c1-9(2)17-12-7-5-11(6-8-12)10(3)13(15)14(4)16/h5-10,16H,1-4H3
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InChIKey
HINIMWBPFIPRGS-UHFFFAOYSA-N
Physicochemical Property
logP
2.4249
Rotatable Bonds
4
Heavy Atom Count
17
Polar Areas
49.77
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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).

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PubChem ID
CID: 44307288
ChEMBL ID
CHEMBL65946
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 = 3700 nM
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