General Information of the Compound
Compound ID
CP0955016
Compound Name
8-(2-(2,5-dihydroxystyryl)hydrazinyl)-N-hydroxy-8-oxooctanamide
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Structure
Formula
C16H23N3O5
Molecular Weight
337.376
Canonical SMILES
O=C(CCCCCCC(=O)NN/C=C/c1cc(O)ccc1O)NO
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InChI
InChI=1S/C16H23N3O5/c20-13-7-8-14(21)12(11-13)9-10-17-18-15(22)5-3-1-2-4-6-16(23)19-24/h7-11,17,20-21,24H,1-6H2,(H,18,22)(H,19,23)/b10-9+
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InChIKey
MAQOUODYPFRRDP-MDZDMXLPSA-N
Physicochemical Property
logP
1.5353
Rotatable Bonds
10
Heavy Atom Count
24
Polar Areas
130.92
Hydrogen Bond Donor Count
6
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: 44582774
ChEMBL ID
CHEMBL485506
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 = 110 nM
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