General Information of the Compound
Compound ID
CP0388822
Compound Name
N-hydroxy-4-[[phenylcarbamoyl(2-phenylethyl)amino]methyl]benzamide
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Structure
Formula
C23H23N3O3
Molecular Weight
389.455
Canonical SMILES
ONC(=O)c1ccc(CN(CCc2ccccc2)C(=O)Nc2ccccc2)cc1
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InChI
InChI=1S/C23H23N3O3/c27-22(25-29)20-13-11-19(12-14-20)17-26(16-15-18-7-3-1-4-8-18)23(28)24-21-9-5-2-6-10-21/h1-14,29H,15-17H2,(H,24,28)(H,25,27)
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InChIKey
GAWCRHBRHJEZOZ-UHFFFAOYSA-N
Physicochemical Property
logP
4.0824
Rotatable Bonds
7
Heavy Atom Count
29
Polar Areas
81.67
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
29

"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: 71457287
SID: 163501715
ChEMBL ID
CHEMBL2179619
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: PT00991, Histone deacetylase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 3120 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 = 14 nM
   TI
   LI
   LO
   TS