General Information of the Compound
| Compound ID |
CP0215948
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(5-phenyl-1H-pyrazol-1- yl)isonicotinic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H11N3O2
|
||||||||||||||||||
| Molecular Weight |
265.272
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1ccnc(c1)-n1nccc1-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H11N3O2/c19-15(20)12-6-8-16-14(10-12)18-13(7-9-17-18)11-4-2-1-3-5-11/h1-10H,(H,19,20)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WGDUIIXPWPBNOF-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"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). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
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
Protein ID: PT02613, Lysine-specific demethylase 5A
Protein ID: PT03382, Lysine-specific demethylase 5B