General Information of the Compound
Compound ID
CP0444154
Compound Name
4-[(4-tert-butylphenyl)sulfonylamino]-N-hydroxybenzamide
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Structure
Formula
C17H20N2O4S
Molecular Weight
348.424
Canonical SMILES
CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C(=O)NO
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InChI
InChI=1S/C17H20N2O4S/c1-17(2,3)13-6-10-15(11-7-13)24(22,23)19-14-8-4-12(5-9-14)16(20)18-21/h4-11,19,21H,1-3H3,(H,18,20)
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InChIKey
XNPLYQHUCJHHLX-UHFFFAOYSA-N
Physicochemical Property
logP
2.9039
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
95.5
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
24

"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: 86231496
ChEMBL ID
CHEMBL4798826
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 = 44.2 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 = 2.25 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 = 2.01 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 = 13.3 nM
   TI
   LI
   LO
   TS