| BioID | bio197315 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL489905 |
|---|
| Molecular Formula | C13H17NO6S |
|---|
| Molecular Weight | 315.35 |
|---|
| Molecular Weight (Monoisotopic) | 315.0777 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | 2-(Butylsulfonyl)Ethyl 4-Nitrobenzoate |
|---|
| Smiles | CCCCS(=O)(=O)CCOC(=O)c1ccc([N+](=O)[O-])cc1 |
|---|
| Inchi | InChI=1S/C13H17NO6S/c1-2-3-9-21(18,19)10-8-20-13(15)11-4-6-12(7-5-11)14(16)17/h4-7H,2-3,8-10H2,1H3 |
|---|
| Inchi Key | QEOZNPLDGRQRPQ-UHFFFAOYSA-N |
|---|
| Molecular Species | None |
|---|
| Targets | 3.0 |
|---|
| Bioactivities | 6.0 |
|---|
| Np Likeness Score | -1.12 |
|---|
| Records Key | ['3r'] |
|---|
| Records Name | ['2-(butylsulfonyl)ethyl 4-nitrobenzoate'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
