General Information of the Compound
Compound ID
CP0562791
Compound Name
2,3,4,5,6-pentafluoro-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-methylbenzamide
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Structure
Formula
C16H11F5N2O3
Molecular Weight
374.265
Canonical SMILES
CN(Cc1ccc(cc1)C(=O)NO)C(=O)c1c(F)c(F)c(F)c(F)c1F
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InChI
InChI=1S/C16H11F5N2O3/c1-23(6-7-2-4-8(5-3-7)15(24)22-26)16(25)9-10(17)12(19)14(21)13(20)11(9)18/h2-5,26H,6H2,1H3,(H,22,24)
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InChIKey
LQZVIKDHXXQPKJ-UHFFFAOYSA-N
Physicochemical Property
logP
2.7733
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
69.64
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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: 155155842
ChEMBL ID
CHEMBL4744157
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
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 = 740 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 = 17.3 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 > 1000 nM
   TI
   LI
   LO
   TS