General Information of the Compound
Compound ID
CP0955018
Compound Name
7-(2-(2-chlorostyryl)hydrazinyl)-N-hydroxy-7-oxoheptanamide
    Show/Hide
Structure
Formula
C15H20ClN3O3
Molecular Weight
325.796
Canonical SMILES
O=C(CCCCCC(=O)NN/C=C/c1ccccc1Cl)NO
    Show/Hide
InChI
InChI=1S/C15H20ClN3O3/c16-13-7-5-4-6-12(13)10-11-17-18-14(20)8-2-1-3-9-15(21)19-22/h4-7,10-11,17,22H,1-3,8-9H2,(H,18,20)(H,19,21)/b11-10+
    Show/Hide
InChIKey
BQLNACBDWMLDOW-ZHACJKMWSA-N
Physicochemical Property
logP
2.3874
Rotatable Bonds
9
Heavy Atom Count
22
Polar Areas
90.46
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
4
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: 44582820
ChEMBL ID
CHEMBL491452
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 = 90 nM
   TI
   LI
   LO
   TS