General Information of the Compound
Compound ID
CP0955017
Compound Name
7-(2-(2-bromo-5-hydroxystyryl)hydrazinyl)-N-hydroxy-7-oxoheptanamide
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Structure
Formula
C15H20BrN3O4
Molecular Weight
386.246
Canonical SMILES
O=C(CCCCCC(=O)NN/C=C/c1cc(O)ccc1Br)NO
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InChI
InChI=1S/C15H20BrN3O4/c16-13-7-6-12(20)10-11(13)8-9-17-18-14(21)4-2-1-3-5-15(22)19-23/h6-10,17,20,23H,1-5H2,(H,18,21)(H,19,22)/b9-8+
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InChIKey
NUDJEZPDACVVOF-CMDGGOBGSA-N
Physicochemical Property
logP
2.2021
Rotatable Bonds
9
Heavy Atom Count
23
Polar Areas
110.69
Hydrogen Bond Donor Count
5
Hydrogen Bond Acceptor Count
5
Complexity
23

"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: 44582817
ChEMBL ID
CHEMBL491253
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 = 49 nM
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