General Information of the Compound
Compound ID
CP0444153
Compound Name
N-[4-(hydroxycarbamoyl)phenyl]-4-methylbenzamide
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Structure
Formula
C15H14N2O3
Molecular Weight
270.288
Canonical SMILES
Cc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)NO
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InChI
InChI=1S/C15H14N2O3/c1-10-2-4-11(5-3-10)14(18)16-13-8-6-12(7-9-13)15(19)17-20/h2-9,20H,1H3,(H,16,18)(H,17,19)
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InChIKey
IECGNBYTSGJNPV-UHFFFAOYSA-N
Physicochemical Property
logP
2.36632
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
78.43
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
20

"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: 11623168
SID: 16726145
ChEMBL ID
CHEMBL4757957
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 = 10.9 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 = 1.6 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 = 21.6 nM
   TI
   LI
   LO
   TS