General Information of the Compound
Compound ID
CP0128613
Compound Name
N-hydroxy-4-[(1-naphthalen-2-yl-2-oxopyrrolidin-3-yl)amino]benzamide
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Structure
Formula
C21H19N3O3
Molecular Weight
361.401
Canonical SMILES
ONC(=O)c1ccc(NC2CCN(C2=O)c2ccc3ccccc3c2)cc1
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InChI
InChI=1S/C21H19N3O3/c25-20(23-27)15-5-8-17(9-6-15)22-19-11-12-24(21(19)26)18-10-7-14-3-1-2-4-16(14)13-18/h1-10,13,19,22,27H,11-12H2,(H,23,25)
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InChIKey
LUQUUSLTTOOHNG-UHFFFAOYSA-N
Physicochemical Property
logP
3.1762
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
81.67
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
27

"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: 57523759
SID: 137281384
ChEMBL ID
CHEMBL3415622
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 = 1100 nM
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