General Information of the Compound
Compound ID
CP0533665
Compound Name
N-hydroxy-4-[(5-quinolin-2-yltetrazol-2-yl)methyl]benzamide
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Structure
Formula
C18H14N6O2
Molecular Weight
346.35
Canonical SMILES
ONC(=O)c1ccc(Cn2nnc(n2)-c2ccc3ccccc3n2)cc1
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InChI
InChI=1S/C18H14N6O2/c25-18(22-26)14-7-5-12(6-8-14)11-24-21-17(20-23-24)16-10-9-13-3-1-2-4-15(13)19-16/h1-10,26H,11H2,(H,22,25)
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InChIKey
BSSLAUBSRPDZRV-UHFFFAOYSA-N
Physicochemical Property
logP
2.0556
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
105.82
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
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: 135358197
ChEMBL ID
CHEMBL4529251
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: PT01213, Histone deacetylase 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 20 nM
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