General Information of the Compound
Compound ID
CP0921919
Compound Name
N-hydroxy-7-(2-(2-(2-hydroxynaphthalen-1-yl)vinyl)hydrazinyl)-7-oxoheptanamide
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Structure
Formula
C19H23N3O4
Molecular Weight
357.41
Canonical SMILES
O=C(CCCCCC(=O)NN/C=C/c1c(O)ccc2ccccc12)NO
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InChI
InChI=1S/C19H23N3O4/c23-17-11-10-14-6-4-5-7-15(14)16(17)12-13-20-21-18(24)8-2-1-3-9-19(25)22-26/h4-7,10-13,20,23,26H,1-3,8-9H2,(H,21,24)(H,22,25)/b13-12+
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InChIKey
MJRUMFRGCVBFFS-OUKQBFOZSA-N
Physicochemical Property
logP
2.5928
Rotatable Bonds
9
Heavy Atom Count
26
Polar Areas
110.69
Hydrogen Bond Donor Count
5
Hydrogen Bond Acceptor Count
5
Complexity
26

"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: 44582800
ChEMBL ID
CHEMBL447806
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 = 41 nM
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