General Information of the Compound
Compound ID
CP0542867
Compound Name
N-[7-(hydroxyamino)-7-oxoheptyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide
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Structure
Formula
C20H27N3O6S
Molecular Weight
437.518
Canonical SMILES
COc1cc(cc(OC)c1OC)-c1ncc(s1)C(=O)NCCCCCCC(=O)NO
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InChI
InChI=1S/C20H27N3O6S/c1-27-14-10-13(11-15(28-2)18(14)29-3)20-22-12-16(30-20)19(25)21-9-7-5-4-6-8-17(24)23-26/h10-12,26H,4-9H2,1-3H3,(H,21,25)(H,23,24)
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InChIKey
RHJGTOMAWYAOCO-UHFFFAOYSA-N
Physicochemical Property
logP
3.0216
Rotatable Bonds
12
Heavy Atom Count
30
Polar Areas
119.01
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
8
Complexity
30

"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: 166626290
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 = 800 nM
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