General Information of the Compound
Compound ID
CP0571890
Compound Name
2-(2,4-dimethoxyphenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1H-imidazole-5-carboxamide
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Structure
Formula
C19H26N4O5
Molecular Weight
390.44
Canonical SMILES
COc1ccc(-c2ncc([nH]2)C(=O)NCCCCCCC(=O)NO)c(OC)c1
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InChI
InChI=1S/C19H26N4O5/c1-27-13-8-9-14(16(11-13)28-2)18-21-12-15(22-18)19(25)20-10-6-4-3-5-7-17(24)23-26/h8-9,11-12,26H,3-7,10H2,1-2H3,(H,20,25)(H,21,22)(H,23,24)
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InChIKey
ZKSQKXYNAYAFIG-UHFFFAOYSA-N
Physicochemical Property
logP
2.2796
Rotatable Bonds
11
Heavy Atom Count
28
Polar Areas
125.57
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
6
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: 163217043
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
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 48 nM
   TI
   LI
   LO
   TS
Protein ID: PT01499, Histone deacetylase 8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 14560 nM
   TI
   LI
   LO
   TS