General Information of the Compound
Compound ID
CP0128619
Compound Name
N-hydroxy-4-[methyl-(2-oxo-1-phenylpyrrolidin-3-yl)amino]benzamide
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Structure
Formula
C18H19N3O3
Molecular Weight
325.368
Canonical SMILES
CN(C1CCN(C1=O)c1ccccc1)c1ccc(cc1)C(=O)NO
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InChI
InChI=1S/C18H19N3O3/c1-20(14-9-7-13(8-10-14)17(22)19-24)16-11-12-21(18(16)23)15-5-3-2-4-6-15/h2-10,16,24H,11-12H2,1H3,(H,19,22)
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InChIKey
JKSCFHKEBJNQOU-UHFFFAOYSA-N
Physicochemical Property
logP
2.0473
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
72.88
Hydrogen Bond Donor Count
2
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: 118733259
ChEMBL ID
CHEMBL3415447
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: PT01213, Histone deacetylase 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000068 A-549 Homo sapiens (Human)  1
1
EC50 > 30000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 48800 nM