General Information of the Compound
Compound ID
CP0119161
Compound Name
N-hydroxy-4-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]benzamide
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Structure
Formula
C17H17N3O3
Molecular Weight
311.341
Canonical SMILES
ONC(=O)c1ccc(NC2CCN(C2=O)c2ccccc2)cc1
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InChI
InChI=1S/C17H17N3O3/c21-16(19-23)12-6-8-13(9-7-12)18-15-10-11-20(17(15)22)14-4-2-1-3-5-14/h1-9,15,18,23H,10-11H2,(H,19,21)
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InChIKey
YBSJBWDJGNDIOR-UHFFFAOYSA-N
Physicochemical Property
logP
2.023
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
81.67
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
23

"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: 88849490
ChEMBL ID
CHEMBL3415446
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 = 5900 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 380 nM