General Information of the Compound
Compound ID
CP0955019
Compound Name
6-(2-(2-bromo-4-hydroxy-5-methoxystyryl)hydrazinyl)-N-hydroxy-6-oxohexanamide
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Structure
Formula
C15H20BrN3O5
Molecular Weight
402.245
Canonical SMILES
COc1cc(/C=C/NNC(=O)CCCCC(=O)NO)c(Br)cc1O
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InChI
InChI=1S/C15H20BrN3O5/c1-24-13-8-10(11(16)9-12(13)20)6-7-17-18-14(21)4-2-3-5-15(22)19-23/h6-9,17,20,23H,2-5H2,1H3,(H,18,21)(H,19,22)/b7-6+
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InChIKey
RPONVRVBJAIRSB-VOTSOKGWSA-N
Physicochemical Property
logP
1.8206
Rotatable Bonds
9
Heavy Atom Count
24
Polar Areas
119.92
Hydrogen Bond Donor Count
5
Hydrogen Bond Acceptor Count
6
Complexity
24

"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: 44582841
ChEMBL ID
CHEMBL489011
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 = 59 nM
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