General Information of the Compound
Compound ID
CP0548194
Compound Name
N-hydroxy-4-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]benzamide
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Structure
Formula
C15H12N4O2S
Molecular Weight
312.354
Canonical SMILES
ONC(=O)c1ccc(Nc2nnc(s2)-c2ccccc2)cc1
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InChI
InChI=1S/C15H12N4O2S/c20-13(19-21)10-6-8-12(9-7-10)16-15-18-17-14(22-15)11-4-2-1-3-5-11/h1-9,21H,(H,16,18)(H,19,20)
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InChIKey
GADQXQRNFJWVSG-UHFFFAOYSA-N
Physicochemical Property
logP
3.0677
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
87.14
Hydrogen Bond Donor Count
3
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).

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PubChem ID
CID: 155512029
ChEMBL ID
CHEMBL4436726
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 = 66 nM
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