General Information of the Compound
| Compound ID |
CP0037107
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
hydron;pyridine-3-carboxylate
Show/Hide
|
||||||||||||||||||
| Synonyms |
Niacin (TN)
Niacinamide (TN)
Nicotinamide (TN)
Vitamin B3
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C6H5NO2
|
||||||||||||||||||
| Molecular Weight |
123.111
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1cccnc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PVNIIMVLHYAWGP-UHFFFAOYSA-N
|
||||||||||||||||||
| CAS |
123574-58-3
59-67-6
|
||||||||||||||||||
| 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 | |||||||||||||||||||
| DrugBank 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: PT01282, Hydroxycarboxylic acid receptor 2
Cell-based Assay
Clinical Information about the Compound