| BioID | bio197504 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL1334508 |
|---|
| Molecular Formula | C11H13NO6S |
|---|
| Molecular Weight | 287.29 |
|---|
| Molecular Weight (Monoisotopic) | 287.0464 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | Dimethyl-2-(Methylsulfonamido)Terephthalate |
|---|
| Smiles | COC(=O)c1ccc(C(=O)OC)c(NS(C)(=O)=O)c1 |
|---|
| Inchi | InChI=1S/C11H13NO6S/c1-17-10(13)7-4-5-8(11(14)18-2)9(6-7)12-19(3,15)16/h4-6,12H,1-3H3 |
|---|
| Inchi Key | GKTMTMBHZCORLO-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 8.0 |
|---|
| Bioactivities | 9.0 |
|---|
| Np Likeness Score | -1.12 |
|---|
| Records Key | ['10', 'SID4256850'] |
|---|
| Records Name | ['dimethyl-2-(methylsulfonamido)terephthalate', 'SID4256850'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
