General Information of the Compound
Compound ID
CP0870634
Compound Name
6-(2-(4-bromostyryl)hydrazinyl)-N-hydroxy-6-oxohexanamide
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Structure
Formula
C14H18BrN3O3
Molecular Weight
356.22
Canonical SMILES
O=C(CCCCC(=O)NN/C=C/c1ccc(Br)cc1)NO
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InChI
InChI=1S/C14H18BrN3O3/c15-12-7-5-11(6-8-12)9-10-16-17-13(19)3-1-2-4-14(20)18-21/h5-10,16,21H,1-4H2,(H,17,19)(H,18,20)/b10-9+
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InChIKey
SAMOHGRSZIWWEB-MDZDMXLPSA-N
Physicochemical Property
logP
2.1064
Rotatable Bonds
8
Heavy Atom Count
21
Polar Areas
90.46
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
4
Complexity
21

"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: 44582842
ChEMBL ID
CHEMBL446605
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: PT00285, Histone deacetylase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000090 Schneider 2 Drosophila melanogaster (Fruit fly)  1
1
IC50 = 45 nM
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