General Information of the Compound
Compound ID
CP0564511
Compound Name
N-hydroxy-3-methoxy-4-[[propan-2-yl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]benzamide
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Structure
Formula
C18H18F4N2O5S
Molecular Weight
450.41
Canonical SMILES
COc1cc(ccc1CN(C(C)C)S(=O)(=O)c1cc(F)c(F)c(F)c1F)C(=O)NO
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InChI
InChI=1S/C18H18F4N2O5S/c1-9(2)24(8-11-5-4-10(18(25)23-26)6-13(11)29-3)30(27,28)14-7-12(19)15(20)17(22)16(14)21/h4-7,9,26H,8H2,1-3H3,(H,23,25)
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InChIKey
ZETAQQWYUSODQX-UHFFFAOYSA-N
Physicochemical Property
logP
2.9699
Rotatable Bonds
7
Heavy Atom Count
30
Polar Areas
95.94
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
30

"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: 155155844
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 > 1000 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 > 1000 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 = 474 nM
   TI
   LI
   LO
   TS