General Information of the Compound
Compound ID
CP0012463
Compound Name
BENZHYDROXAMIC ACID
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Structure
Formula
C7H7NO2
Molecular Weight
137.138
Canonical SMILES
ONC(=O)c1ccccc1
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InChI
InChI=1S/C7H7NO2/c9-7(8-10)6-4-2-1-3-5-6/h1-5,10H,(H,8,9)
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InChIKey
VDEUYMSGMPQMIK-UHFFFAOYSA-N
CAS
495-18-1
1005-00-1
Physicochemical Property
logP
0.8056
Rotatable Bonds
1
Heavy Atom Count
10
Polar Areas
49.33
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
10

"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: 10313
SID: 15922402
ChEMBL ID
CHEMBL16300
DrugBank ID
DB01924
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: PT00991, Histone deacetylase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 25380 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 4730 nM
2 IC50 = 20000 nM
Protein ID: PT01213, Histone deacetylase 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  2
1
IC50 = 1343 nM
   TI
   LI
   LO
   TS
2
IC50 = 2370 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 115 nM