| BioID | bio199394 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL496464 |
|---|
| Molecular Formula | C19H15FO2S |
|---|
| Molecular Weight | 326.39 |
|---|
| Molecular Weight (Monoisotopic) | 326.0777 |
|---|
| Type | Small molecule |
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| Max Phase | -- |
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| Target ID | Tar81 |
|---|
| Target Name | None |
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| Synonyms | 2-Desmethylsulindac Sulfide |
|---|
| Smiles | CSc1ccc(/C=C2\C=C(CC(=O)O)c3cc(F)ccc32)cc1 |
|---|
| Inchi | InChI=1S/C19H15FO2S/c1-23-16-5-2-12(3-6-16)8-13-9-14(10-19(21)22)18-11-15(20)4-7-17(13)18/h2-9,11H,10H2,1H3,(H,21,22)/b13-8+ |
|---|
| Inchi Key | NEQPIGQSLNSVDO-MDWZMJQESA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 6.0 |
|---|
| Bioactivities | 14.0 |
|---|
| Np Likeness Score | -0.31 |
|---|
| Records Key | [(E)-2'-des-methyl sulindac sulfide", "2, E-DMSS, (E)-2'-des-methyl-sulindac sulfide", '2']" |
|---|
| Records Name | [(E)-2'-des-methyl sulindac sulfide", '(E)-2-(5-fluoro-1-(4-(methylthio)benzylidene)-1H-inden-3-yl)acetic acid', '2-desmethylsulindac sulfide']" |
|---|
| Withdrawn Flag | False |
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| Orphan | -1 |
|---|
