General Information of the Compound
Compound ID
CP0880090
Compound Name
N-hydroxy-7-(2-(3-hydroxystyryl)hydrazinyl)-7-oxoheptanamide
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Structure
Formula
C15H21N3O4
Molecular Weight
307.35
Canonical SMILES
O=C(CCCCCC(=O)NN/C=C/c1cccc(O)c1)NO
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InChI
InChI=1S/C15H21N3O4/c19-13-6-4-5-12(11-13)9-10-16-17-14(20)7-2-1-3-8-15(21)18-22/h4-6,9-11,16,19,22H,1-3,7-8H2,(H,17,20)(H,18,21)/b10-9+
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InChIKey
KYPVTWADOQDREV-MDZDMXLPSA-N
Physicochemical Property
logP
1.4396
Rotatable Bonds
9
Heavy Atom Count
22
Polar Areas
110.69
Hydrogen Bond Donor Count
5
Hydrogen Bond Acceptor Count
5
Complexity
22

"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: 44582773
ChEMBL ID
CHEMBL508866
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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