General Information of the Compound
Compound ID
CP0444806
Compound Name
4-hexoxy-N-[(2S)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide
    Show/Hide
Structure
Formula
C18H28N2O4
Molecular Weight
336.432
Canonical SMILES
CCCCCCOc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)NO
    Show/Hide
InChI
InChI=1S/C18H28N2O4/c1-4-5-6-7-12-24-15-10-8-14(9-11-15)17(21)19-16(13(2)3)18(22)20-23/h8-11,13,16,23H,4-7,12H2,1-3H3,(H,19,21)(H,20,22)/t16-/m0/s1
    Show/Hide
InChIKey
GUGHZGUQZCBZHP-INIZCTEOSA-N
Physicochemical Property
logP
2.9055
Rotatable Bonds
10
Heavy Atom Count
24
Polar Areas
87.66
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
24

"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: 134179433
ChEMBL ID
CHEMBL4795671
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: PT00915, Peroxisome proliferator-activated receptor gamma
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
EC50 = 1840 nM
   TI
   LI
   LO
   TS
2
Kd = 123 nM
   TI
   LI
   LO
   TS