General Information of the Compound
Compound ID
CP0939814
Compound Name
6-(2-(2-bromo-4-hydroxystyryl)hydrazinyl)-N-hydroxy-6-oxohexanamide
    Show/Hide
Structure
Formula
C14H18BrN3O4
Molecular Weight
372.219
Canonical SMILES
O=C(CCCCC(=O)NN/C=C/c1ccc(O)cc1Br)NO
    Show/Hide
InChI
InChI=1S/C14H18BrN3O4/c15-12-9-11(19)6-5-10(12)7-8-16-17-13(20)3-1-2-4-14(21)18-22/h5-9,16,19,22H,1-4H2,(H,17,20)(H,18,21)/b8-7+
    Show/Hide
InChIKey
APQWBYDYPKGXAM-BQYQJAHWSA-N
Physicochemical Property
logP
1.812
Rotatable Bonds
8
Heavy Atom Count
22
Polar Areas
110.69
Hydrogen Bond Donor Count
5
Hydrogen Bond Acceptor Count
5
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 44582839
ChEMBL ID
CHEMBL489010
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: PT00285, Histone deacetylase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000090 Schneider 2 Drosophila melanogaster (Fruit fly)  1
1
IC50 = 106 nM
   TI
   LI
   LO
   TS