General Information of the Compound
Compound ID
CP0537115
Compound Name
4-tert-butyl-N-ethyl-N-[4-(hydroxycarbamoyl)phenyl]benzamide
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Formula
C20H24N2O3
Molecular Weight
340.423
Canonical SMILES
CCN(C(=O)c1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(=O)NO
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InChI
InChI=1S/C20H24N2O3/c1-5-22(17-12-8-14(9-13-17)18(23)21-25)19(24)15-6-10-16(11-7-15)20(2,3)4/h6-13,25H,5H2,1-4H3,(H,21,23)
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InChIKey
XEXFBFZWKSNYMQ-UHFFFAOYSA-N
Physicochemical Property
logP
3.7698
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
69.64
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
25

"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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ChEMBL ID
CHEMBL4792001
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 = 281 nM
   TI
   LI
   LO
   TS