| BioID | bio198401 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL162811 |
|---|
| Molecular Formula | C17H23NO5 |
|---|
| Molecular Weight | 321.37 |
|---|
| Molecular Weight (Monoisotopic) | 321.1576 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | 2-Acetoxy-Benzoic Acid Dipropylcarbamoylmethyl Ester |
|---|
| Smiles | CCCN(CCC)C(=O)COC(=O)c1ccccc1OC(C)=O |
|---|
| Inchi | InChI=1S/C17H23NO5/c1-4-10-18(11-5-2)16(20)12-22-17(21)14-8-6-7-9-15(14)23-13(3)19/h6-9H,4-5,10-12H2,1-3H3 |
|---|
| Inchi Key | XCEUBKDKAYYEQR-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 3.0 |
|---|
| Bioactivities | 10.0 |
|---|
| Np Likeness Score | -0.91 |
|---|
| Records Key | ['7'] |
|---|
| Records Name | ['2-Acetoxy-benzoic acid dipropylcarbamoylmethyl ester'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
