Bioactive Compound Details
| BioID | bio199651 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL1091148 |
| Molecular Formula | C15H23N2O4PS |
| Molecular Weight | 358.4 |
| Molecular Weight (Monoisotopic) | 358.1116 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 1-Aminopentyl(2-(Methoxycarbonyl)Benzylcarbamothioyl)Phosphinic Acid |
| Smiles | CCCCC(N)P(=O)(O)C(=S)NCc1ccccc1C(=O)OC |
| Inchi | InChI=1S/C15H23N2O4PS/c1-3-4-9-13(16)22(19,20)15(23)17-10-11-7-5-6-8-12(11)14(18)21-2/h5-8,13H,3-4,9-10,16H2,1-2H3,(H,17,23)(H,19,20) |
| Inchi Key | KZVJJQCEPZDUJY-UHFFFAOYSA-N |
| Molecular Species | ZWITTERION |
| Targets | 3.0 |
| Bioactivities | 3.0 |
| Np Likeness Score | -0.33 |
| Records Key | ['19'] |
| Records Name | ['1-aminopentyl(2-(methoxycarbonyl)benzylcarbamothioyl)phosphinic acid'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
