General Information of the Compound
Compound ID
CP0091643
Compound Name
4-[(1-benzyl-2-oxopyrrolidin-3-yl)amino]-N-hydroxybenzamide
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Structure
Formula
C18H19N3O3
Molecular Weight
325.368
Canonical SMILES
ONC(=O)c1ccc(NC2CCN(Cc3ccccc3)C2=O)cc1
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InChI
InChI=1S/C18H19N3O3/c22-17(20-24)14-6-8-15(9-7-14)19-16-10-11-21(18(16)23)12-13-4-2-1-3-5-13/h1-9,16,19,24H,10-12H2,(H,20,22)
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InChIKey
ALXBWSHZBQTFJJ-UHFFFAOYSA-N
Physicochemical Property
logP
2.0186
Rotatable Bonds
5
Heavy Atom Count
24
Polar Areas
81.67
Hydrogen Bond Donor Count
3
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: 88849486
ChEMBL ID
CHEMBL3415451
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 = 11400 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 510 nM