General Information of the Compound
Compound ID
CP0941757
Compound Name
7-(2-(2-bromo-4-hydroxy-5-methoxystyryl)hydrazinyl)-N-hydroxy-7-oxoheptanamide
    Show/Hide
Structure
Formula
C16H22BrN3O5
Molecular Weight
416.272
Canonical SMILES
COc1cc(/C=C/NNC(=O)CCCCCC(=O)NO)c(Br)cc1O
    Show/Hide
InChI
InChI=1S/C16H22BrN3O5/c1-25-14-9-11(12(17)10-13(14)21)7-8-18-19-15(22)5-3-2-4-6-16(23)20-24/h7-10,18,21,24H,2-6H2,1H3,(H,19,22)(H,20,23)/b8-7+
    Show/Hide
InChIKey
FSKJOVMZVFTQQU-BQYQJAHWSA-N
Physicochemical Property
logP
2.2107
Rotatable Bonds
10
Heavy Atom Count
25
Polar Areas
119.92
Hydrogen Bond Donor Count
5
Hydrogen Bond Acceptor Count
6
Complexity
25

"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: 44582819
ChEMBL ID
CHEMBL523640
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 = 59 nM
   TI
   LI
   LO
   TS