General Information of the Compound
Compound ID
CP0007970
Compound Name
N-hydroxy-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
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Structure
Formula
C10H10N4O2
Molecular Weight
218.216
Canonical SMILES
Cc1nnc([nH]1)-c1ccc(cc1)C(=O)NO
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InChI
InChI=1S/C10H10N4O2/c1-6-11-9(13-12-6)7-2-4-8(5-3-7)10(15)14-16/h2-5,16H,1H3,(H,14,15)(H,11,12,13)
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InChIKey
ZUZRIDRMGJDWEZ-UHFFFAOYSA-N
Physicochemical Property
logP
0.89912
Rotatable Bonds
2
Heavy Atom Count
16
Polar Areas
90.9
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
16

"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: 155534255
ChEMBL ID
CHEMBL4469978
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 = 353 nM
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