Bufobutanoic Acid
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1760552 | |
| PubChem: | 10612485 | |
| IUPAC: | 4-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]-4-oxobutanoic acid | |
| Standard InChI: | InChI=1S/C14H16N2O4/c17-10-1-2-12-11(7-10)9(8-16-12)5-6-15-13(18)3-4-14(19)20/h1-2,7-8,16-17H,3-6H2,(H,15,18)(H,19,20) | |
| Standard InChI Key: | HGOQFBPGMIWJLR-UHFFFAOYSA-N | |
| SMILES: | OC(=O)CCC(=NCCc1c[nH]c2c1cc(O)cc2)O | |
Molecular propeties
| ||
| AlogP: | 1.4 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 4 | |
| Rotatable bonds: | 6 | |
| Number of rings: | 2 | |
| Molecular Weight: | 276.11 | |
| Topological polar surface area: | 102 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.286 | |
| Number of carbons: | 14 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
|---|