General Information of the Compound
Compound ID
CP0558894
Compound Name
3,5-difluoro-N-hydroxy-4-methylbenzamide
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Formula
C8H7F2NO2
Molecular Weight
187.145
Canonical SMILES
Cc1c(F)cc(cc1F)C(=O)NO
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InChI
InChI=1S/C8H7F2NO2/c1-4-6(9)2-5(3-7(4)10)8(12)11-13/h2-3,13H,1H3,(H,11,12)
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InChIKey
RFMSICJJTYCBRL-UHFFFAOYSA-N
Physicochemical Property
logP
1.39222
Rotatable Bonds
1
Heavy Atom Count
13
Polar Areas
49.33
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
13

"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
CHEMBL4863455
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 = 13812 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 = 27 nM
   TI
   LI
   LO
   TS