General Information of the Compound
Compound ID
CP0184124
Compound Name
N-hydroxy-6-[(6-methoxyquinolin-8-yl)carbamoylamino]oxyhexanamide
    Show/Hide
Structure
Formula
C17H22N4O5
Molecular Weight
362.386
Canonical SMILES
COc1cc(NC(=O)NOCCCCCC(=O)NO)c2ncccc2c1
    Show/Hide
InChI
InChI=1S/C17H22N4O5/c1-25-13-10-12-6-5-8-18-16(12)14(11-13)19-17(23)21-26-9-4-2-3-7-15(22)20-24/h5-6,8,10-11,24H,2-4,7,9H2,1H3,(H,20,22)(H2,19,21,23)
    Show/Hide
InChIKey
CLGDSTJRIXLINL-UHFFFAOYSA-N
Physicochemical Property
logP
2.3623
Rotatable Bonds
9
Heavy Atom Count
26
Polar Areas
121.81
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
6
Complexity
26

"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: 137639088
ChEMBL ID
CHEMBL4070745
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: PT00991, Histone deacetylase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 51.9 nM
   TI
   LI
   LO
   TS
Protein ID: PT01213, Histone deacetylase 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 6.1 nM
   TI
   LI
   LO
   TS