General Information of the Compound
Compound ID
CP0394063
Compound Name
N-hydroxy-2-[4-(2-methylpropyl)phenyl]-N-propan-2-ylpropanamide
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Structure
Formula
C16H25NO2
Molecular Weight
263.381
Canonical SMILES
CC(C)Cc1ccc(cc1)C(C)C(=O)N(O)C(C)C
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InChI
InChI=1S/C16H25NO2/c1-11(2)10-14-6-8-15(9-7-14)13(5)16(18)17(19)12(3)4/h6-9,11-13,19H,10H2,1-5H3
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InChIKey
TZMVWDIXBLQZAV-UHFFFAOYSA-N
Physicochemical Property
logP
3.6148
Rotatable Bonds
5
Heavy Atom Count
19
Polar Areas
40.54
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
19

"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: 44307422
ChEMBL ID
CHEMBL66852
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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