General Information of the Compound
| Compound ID |
CP0513277
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[3-amino-5-(4-methylphenyl)- 1H-pyrazol-1-yl]pyridine-4- carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H14N4O2
|
||||||||||||||||||
| Molecular Weight |
294.314
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(cc1)-c1cc(N)nn1-c1cc(ccn1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H14N4O2/c1-10-2-4-11(5-3-10)13-9-14(17)19-20(13)15-8-12(16(21)22)6-7-18-15/h2-9H,1H3,(H2,17,19)(H,21,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RARDAFAMJQBDBC-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