General Information of the Compound
Compound ID
CP0426079
Compound Name
N-hydroxy-4-[[5-(pyridin-2-ylmethyl)tetrazol-2-yl]methyl]benzamide
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Structure
Formula
C15H14N6O2
Molecular Weight
310.317
Canonical SMILES
ONC(=O)c1ccc(Cn2nnc(Cc3ccccn3)n2)cc1
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InChI
InChI=1S/C15H14N6O2/c22-15(19-23)12-6-4-11(5-7-12)10-21-18-14(17-20-21)9-13-3-1-2-8-16-13/h1-8,23H,9-10H2,(H,19,22)
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InChIKey
HQWAKIPRLBXXRT-UHFFFAOYSA-N
Physicochemical Property
logP
0.8262
Rotatable Bonds
5
Heavy Atom Count
23
Polar Areas
105.82
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
23

"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: 142452243
ChEMBL ID
CHEMBL4551484
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 = 25 nM
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