General Information of the Compound
Compound ID
CP0562073
Compound Name
4-amino-3-fluoro-N-hydroxybenzamide
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Structure
Formula
C7H7FN2O2
Molecular Weight
170.143
Canonical SMILES
Nc1ccc(cc1F)C(=O)NO
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InChI
InChI=1S/C7H7FN2O2/c8-5-3-4(7(11)10-12)1-2-6(5)9/h1-3,12H,9H2,(H,10,11)
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InChIKey
SQUWBPPLBLLDBW-UHFFFAOYSA-N
Physicochemical Property
logP
0.5269
Rotatable Bonds
1
Heavy Atom Count
12
Polar Areas
75.35
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
12

"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: 63991804
ChEMBL ID
CHEMBL4869421
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 = 7394 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 = 183 nM
   TI
   LI
   LO
   TS