General Information of the Compound
Compound ID
CP0429255
Compound Name
N-hydroxy-N-methyl-2-[4-(2-methylpropyl)phenyl]-3-phenylpropanamide
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Structure
Formula
C20H25NO2
Molecular Weight
311.425
Canonical SMILES
CC(C)Cc1ccc(cc1)C(Cc1ccccc1)C(=O)N(C)O
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InChI
InChI=1S/C20H25NO2/c1-15(2)13-17-9-11-18(12-10-17)19(20(22)21(3)23)14-16-7-5-4-6-8-16/h4-12,15,19,23H,13-14H2,1-3H3
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InChIKey
OKEGAYNDRIUTLN-UHFFFAOYSA-N
Physicochemical Property
logP
4.059
Rotatable Bonds
6
Heavy Atom Count
23
Polar Areas
40.54
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
23

"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: 44387144
ChEMBL ID
CHEMBL173711
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 = 1288.25 nM
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