General Information of the Compound
Compound ID
CP0451560
Compound Name
N-hydroxy-4-[[2-(4-hydroxyphenyl)ethyl-[(2-methoxyphenyl)carbamoyl]amino]methyl]benzamide
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Structure
Formula
C24H25N3O5
Molecular Weight
435.48
Canonical SMILES
COc1ccccc1NC(=O)N(CCc1ccc(O)cc1)Cc1ccc(cc1)C(=O)NO
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InChI
InChI=1S/C24H25N3O5/c1-32-22-5-3-2-4-21(22)25-24(30)27(15-14-17-8-12-20(28)13-9-17)16-18-6-10-19(11-7-18)23(29)26-31/h2-13,28,31H,14-16H2,1H3,(H,25,30)(H,26,29)
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InChIKey
GHDFZKKNEWCNFW-UHFFFAOYSA-N
Physicochemical Property
logP
3.7966
Rotatable Bonds
8
Heavy Atom Count
32
Polar Areas
111.13
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
5
Complexity
32

"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: 71453772
SID: 163501711
ChEMBL ID
CHEMBL2179615
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
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 1690 nM
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Protein ID: PT01213, Histone deacetylase 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 5.8 nM
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Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000087 B16 Mus musculus (Mouse)  1
1
GI50 = 18400 nM
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