General Information of the Compound
Compound ID
CP0530056
Compound Name
N-cyclohexyl-N-hydroxy-2-[4-(2-methylpropyl)phenyl]propanamide
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Structure
Formula
C19H29NO2
Molecular Weight
303.446
Canonical SMILES
CC(C)Cc1ccc(cc1)C(C)C(=O)N(O)C1CCCCC1
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InChI
InChI=1S/C19H29NO2/c1-14(2)13-16-9-11-17(12-10-16)15(3)19(21)20(22)18-7-5-4-6-8-18/h9-12,14-15,18,22H,4-8,13H2,1-3H3
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InChIKey
SEIYYBNFKPOMGF-UHFFFAOYSA-N
Physicochemical Property
logP
4.5391
Rotatable Bonds
5
Heavy Atom Count
22
Polar Areas
40.54
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
22

"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: 15670542
ChEMBL ID
CHEMBL367924
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 = 430 nM
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