General Information of the Compound
Compound ID
CP0559141
Compound Name
2-(5-hydroxy-1H-pyrazol-1- yl)isonicotinic acid
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Formula
C9H7N3O3
Molecular Weight
205.173
Canonical SMILES
OC(=O)c1ccnc(c1)-n1nccc1O
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InChI
InChI=1S/C9H7N3O3/c13-8-2-4-11-12(8)7-5-6(9(14)15)1-3-10-7/h1-5,13H,(H,14,15)
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InChIKey
TWWVYJCIKYFEJM-UHFFFAOYSA-N
Physicochemical Property
logP
0.6711
Rotatable Bonds
2
Heavy Atom Count
15
Polar Areas
88.24
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
15

"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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ChEMBL ID
CHEMBL4287317
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: PT02979, Lysine-specific demethylase 4C
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 100 nM
   TI
   LI
   LO
   TS
Protein ID: PT02613, Lysine-specific demethylase 5A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 <= 100 nM
   TI
   LI
   LO
   TS
Protein ID: PT03382, Lysine-specific demethylase 5B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 <= 100 nM
   TI
   LI
   LO
   TS