General Information of the Compound
Compound ID
CP0569263
Compound Name
N-hydroxy-4-[[4-(1-phenylethyl)piperazin-1-yl]methyl]benzamide
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Structure
Formula
C20H25N3O2
Molecular Weight
339.439
Canonical SMILES
CC(N1CCN(Cc2ccc(cc2)C(=O)NO)CC1)c1ccccc1
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InChI
InChI=1S/C20H25N3O2/c1-16(18-5-3-2-4-6-18)23-13-11-22(12-14-23)15-17-7-9-19(10-8-17)20(24)21-25/h2-10,16,25H,11-15H2,1H3,(H,21,24)
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InChIKey
ZHVQXJZQHWNCES-UHFFFAOYSA-N
Physicochemical Property
logP
2.6844
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
55.81
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
25

"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: 164887483
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: PT00991, Histone deacetylase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
IC50 = 6700 nM
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Protein ID: PT03064, Histone deacetylase 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
IC50 = 260 nM
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   TS