General Information of the Compound
Compound ID
CP0921899
Compound Name
7-(2-(4-(dimethylamino)-2-hydroxystyryl)hydrazinyl)-N-hydroxy-7-oxoheptanamide
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Structure
Formula
C17H26N4O4
Molecular Weight
350.419
Canonical SMILES
CN(C)c1ccc(/C=C/NNC(=O)CCCCCC(=O)NO)c(O)c1
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InChI
InChI=1S/C17H26N4O4/c1-21(2)14-9-8-13(15(22)12-14)10-11-18-19-16(23)6-4-3-5-7-17(24)20-25/h8-12,18,22,25H,3-7H2,1-2H3,(H,19,23)(H,20,24)/b11-10+
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InChIKey
RCSMLUPKYWMMSO-ZHACJKMWSA-N
Physicochemical Property
logP
1.5056
Rotatable Bonds
10
Heavy Atom Count
25
Polar Areas
113.93
Hydrogen Bond Donor Count
5
Hydrogen Bond Acceptor Count
6
Complexity
25

"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: 44582799
ChEMBL ID
CHEMBL490230
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 = 37 nM
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