General Information of the Compound
Compound ID
CP0128612
Compound Name
4-[[1-[3-[2-(dimethylamino)ethoxy]phenyl]-2-oxopyrrolidin-3-yl]amino]-N-hydroxybenzamide
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Structure
Formula
C21H26N4O4
Molecular Weight
398.463
Canonical SMILES
CN(C)CCOc1cccc(c1)N1CCC(Nc2ccc(cc2)C(=O)NO)C1=O
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InChI
InChI=1S/C21H26N4O4/c1-24(2)12-13-29-18-5-3-4-17(14-18)25-11-10-19(21(25)27)22-16-8-6-15(7-9-16)20(26)23-28/h3-9,14,19,22,28H,10-13H2,1-2H3,(H,23,26)
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InChIKey
CVDUJOYTUXQPEX-UHFFFAOYSA-N
Physicochemical Property
logP
1.9634
Rotatable Bonds
8
Heavy Atom Count
29
Polar Areas
94.14
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Complexity
29

"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: 57523757
SID: 137281382
ChEMBL ID
CHEMBL3415455
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 = 2000 nM
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