General Information of the Compound
Compound ID
CP0547041
Compound Name
N-hydroxy-4-[[methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]methyl]benzamide
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Structure
Formula
C15H11F5N2O4S
Molecular Weight
410.32
Canonical SMILES
CN(Cc1ccc(cc1)C(=O)NO)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
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InChI
InChI=1S/C15H11F5N2O4S/c1-22(6-7-2-4-8(5-3-7)15(23)21-24)27(25,26)14-12(19)10(17)9(16)11(18)13(14)20/h2-5,24H,6H2,1H3,(H,21,23)
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InChIKey
GDMGBFIENCDMJS-UHFFFAOYSA-N
Physicochemical Property
logP
2.3218
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
86.71
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
27

"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: 155155646
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: PT02410, Histone deacetylase 11
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 246 nM
   TI
   LI
   LO
   TS
Protein ID: PT00995, Histone deacetylase 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 143 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 = 2 nM
   TI
   LI
   LO
   TS
Protein ID: PT01499, Histone deacetylase 8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 184 nM
   TI
   LI
   LO
   TS