General Information of the Compound
Compound ID
CP0426064
Compound Name
N-hydroxy-4-[(5-phenyl-1,3-thiazol-2-yl)sulfanyl]benzamide
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Structure
Formula
C16H12N2O2S2
Molecular Weight
328.418
Canonical SMILES
ONC(=O)c1ccc(Sc2ncc(s2)-c2ccccc2)cc1
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InChI
InChI=1S/C16H12N2O2S2/c19-15(18-20)12-6-8-13(9-7-12)21-16-17-10-14(22-16)11-4-2-1-3-5-11/h1-10,20H,(H,18,19)
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InChIKey
SZHNJTRYMUPMCD-UHFFFAOYSA-N
Physicochemical Property
logP
4.0803
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
62.22
Hydrogen Bond Donor Count
2
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).

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PubChem ID
CID: 155554915
ChEMBL ID
CHEMBL4550551
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 = 62 nM
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