General Information of the Compound
Compound ID
CP0939842
Compound Name
7-(2-(4-(1H-imidazol-1-yl)styryl)hydrazinyl)-N-hydroxy-7-oxoheptanamide
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Structure
Formula
C18H23N5O3
Molecular Weight
357.414
Canonical SMILES
O=C(CCCCCC(=O)NN/C=C/c1ccc(-n2ccnc2)cc1)NO
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InChI
InChI=1S/C18H23N5O3/c24-17(4-2-1-3-5-18(25)22-26)21-20-11-10-15-6-8-16(9-7-15)23-13-12-19-14-23/h6-14,20,26H,1-5H2,(H,21,24)(H,22,25)/b11-10+
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InChIKey
WMYUTABYVKJAKY-ZHACJKMWSA-N
Physicochemical Property
logP
1.9197
Rotatable Bonds
10
Heavy Atom Count
26
Polar Areas
108.28
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
6
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: 44582821
ChEMBL ID
CHEMBL490032
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 = 15 nM
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