General Information of the Compound
Compound ID
CP0561535
Compound Name
4-acetamido-3-fluoro-N-hydroxybenzamide
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Formula
C9H9FN2O3
Molecular Weight
212.18
Canonical SMILES
CC(=O)Nc1ccc(cc1F)C(=O)NO
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InChI
InChI=1S/C9H9FN2O3/c1-5(13)11-8-3-2-6(4-7(8)10)9(14)12-15/h2-4,15H,1H3,(H,11,13)(H,12,14)
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InChIKey
VKKFHZGJKOYXTD-UHFFFAOYSA-N
Physicochemical Property
logP
0.9031
Rotatable Bonds
2
Heavy Atom Count
15
Polar Areas
78.43
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
15

"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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ChEMBL ID
CHEMBL4862508
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 = 3211 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 = 58 nM
   TI
   LI
   LO
   TS