Bioactive Compound Details
| BioID | bio199383 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL2024123 |
| Molecular Formula | C22H21NO2S |
| Molecular Weight | 363.48 |
| Molecular Weight (Monoisotopic) | 363.1293 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 3-(((2-Aminoethyl)Sulfanyl)(Diphenyl)Methyl)Benzoic Acid |
| Smiles | NCCSC(c1ccccc1)(c1ccccc1)c1cccc(C(=O)O)c1 |
| Inchi | InChI=1S/C22H21NO2S/c23-14-15-26-22(18-9-3-1-4-10-18,19-11-5-2-6-12-19)20-13-7-8-17(16-20)21(24)25/h1-13,16H,14-15,23H2,(H,24,25) |
| Inchi Key | XTZAVZGYUCCXJK-UHFFFAOYSA-N |
| Molecular Species | ZWITTERION |
| Targets | 2.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | -0.33 |
| Records Key | ['40'] |
| Records Name | ['3-(((2-Aminoethyl)sulfanyl)(diphenyl)methyl)benzoic acid'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
