General Information of the Compound
Compound ID
CP0560416
Compound Name
N-hydroxy-4-[(5-phenyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzamide
    Show/Hide
Structure
Formula
C15H11N3O2S2
Molecular Weight
329.406
Canonical SMILES
ONC(=O)c1ccc(Sc2nnc(s2)-c2ccccc2)cc1
    Show/Hide
InChI
InChI=1S/C15H11N3O2S2/c19-13(18-20)10-6-8-12(9-7-10)21-15-17-16-14(22-15)11-4-2-1-3-5-11/h1-9,20H,(H,18,19)
    Show/Hide
InChIKey
QEYBQQFZJQVMRH-UHFFFAOYSA-N
Physicochemical Property
logP
3.4753
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
75.11
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
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: 155531441
ChEMBL ID
CHEMBL4466468
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: 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 nM
   TI
   LI
   LO
   TS