General Information of the Compound
Compound ID
CP0547762
Compound Name
3-fluoro-N-hydroxybenzamide
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Structure
Formula
C7H6FNO2
Molecular Weight
155.128
Canonical SMILES
ONC(=O)c1cccc(F)c1
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InChI
InChI=1S/C7H6FNO2/c8-6-3-1-2-5(4-6)7(10)9-11/h1-4,11H,(H,9,10)
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InChIKey
FRYSQYMXQKXZPG-UHFFFAOYSA-N
Physicochemical Property
logP
0.9447
Rotatable Bonds
1
Heavy Atom Count
11
Polar Areas
49.33
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
11

"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: 5082377
ChEMBL ID
CHEMBL4850382
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 = 29367 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 = 453 nM
   TI
   LI
   LO
   TS