General Information of the Compound
Compound ID
CP0562728
Compound Name
6-amino-N-hydroxypyridine-3-carboxamide
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Structure
Formula
C6H7N3O2
Molecular Weight
153.141
Canonical SMILES
Nc1ccc(cn1)C(=O)NO
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InChI
InChI=1S/C6H7N3O2/c7-5-2-1-4(3-8-5)6(10)9-11/h1-3,11H,(H2,7,8)(H,9,10)
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InChIKey
VTGKSUIGZGSWGG-UHFFFAOYSA-N
CAS
76706-59-7
Physicochemical Property
logP
-0.2172
Rotatable Bonds
1
Heavy Atom Count
11
Polar Areas
88.24
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
11

"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: 3059529
ChEMBL ID
CHEMBL4864065
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 = 9710 nM
   TI
   LI
   LO
   TS
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 = 240 nM
   TI
   LI
   LO
   TS