General Information of the Compound
Compound ID
CP0544056
Compound Name
N-hydroxy-4-[[(2,3,4,5,6-pentafluorophenyl)sulfonylamino]methyl]benzamide
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Structure
Formula
C14H9F5N2O4S
Molecular Weight
396.293
Canonical SMILES
ONC(=O)c1ccc(CNS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1
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InChI
InChI=1S/C14H9F5N2O4S/c15-8-9(16)11(18)13(12(19)10(8)17)26(24,25)20-5-6-1-3-7(4-2-6)14(22)21-23/h1-4,20,23H,5H2,(H,21,22)
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InChIKey
JIRZYWXRTLCARF-UHFFFAOYSA-N
Physicochemical Property
logP
1.9796
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
95.5
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
26

"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: 155144633
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 > 1000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 > 1000 nM
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 > 1000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 > 1000 nM
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 = 389 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 389 nM
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 > 1000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 > 1000 nM