General Information of the Compound
Compound ID
CP0570273
Compound Name
N-hydroxy-4-[[propan-2-yl-[(2,3,4,5-tetrafluorophenyl)methyl]amino]methyl]benzamide
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Structure
Formula
C18H18F4N2O2
Molecular Weight
370.346
Canonical SMILES
CC(C)N(Cc1ccc(cc1)C(=O)NO)Cc1cc(F)c(F)c(F)c1F
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InChI
InChI=1S/C18H18F4N2O2/c1-10(2)24(8-11-3-5-12(6-4-11)18(25)23-26)9-13-7-14(19)16(21)17(22)15(13)20/h3-7,10,26H,8-9H2,1-2H3,(H,23,25)
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InChIKey
VNNLYUYNDNJOFO-UHFFFAOYSA-N
Physicochemical Property
logP
3.7726
Rotatable Bonds
6
Heavy Atom Count
26
Polar Areas
52.57
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: 168275267
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 = 899 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 = 16.2 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 > 1000 nM
   TI
   LI
   LO
   TS