General Information of the Compound
Compound ID
CP0243831
Compound Name
N-hydroxy-4-[(3-methyl-2-oxo-1-quinolin-6-ylpyrrolidin-3-yl)amino]benzamide
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Structure
Formula
C21H20N4O3
Molecular Weight
376.416
Canonical SMILES
CC1(CCN(C1=O)c1ccc2ncccc2c1)Nc1ccc(cc1)C(=O)NO
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InChI
InChI=1S/C21H20N4O3/c1-21(23-16-6-4-14(5-7-16)19(26)24-28)10-12-25(20(21)27)17-8-9-18-15(13-17)3-2-11-22-18/h2-9,11,13,23,28H,10,12H2,1H3,(H,24,26)
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InChIKey
RSKIXUXUCRJFFV-UHFFFAOYSA-N
Physicochemical Property
logP
2.9613
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
94.56
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
28

"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: 57524107
SID: 137281745
ChEMBL ID
CHEMBL3415628
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 = 360 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 18 nM