| BioID | bio198826 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL128274 |
|---|
| Molecular Formula | C21H20O2S |
|---|
| Molecular Weight | 336.46 |
|---|
| Molecular Weight (Monoisotopic) | 336.1184 |
|---|
| Type | Small molecule |
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| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | Benzyl(2-(4-Phenoxyphenoxy)Ethyl)Sulfane |
|---|
| Smiles | c1ccc(CSCCOc2ccc(Oc3ccccc3)cc2)cc1 |
|---|
| Inchi | InChI=1S/C21H20O2S/c1-3-7-18(8-4-1)17-24-16-15-22-19-11-13-21(14-12-19)23-20-9-5-2-6-10-20/h1-14H,15-17H2 |
|---|
| Inchi Key | ZGANUFZIVOUJTQ-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 1.0 |
|---|
| Bioactivities | 3.0 |
|---|
| Np Likeness Score | -1.01 |
|---|
| Records Key | ['103', 'SI, 103z'] |
|---|
| Records Name | ['1-(2-Benzylsulfanyl-ethoxy)-4-phenoxy-benzene', 'benzyl(2-(4-phenoxyphenoxy)ethyl)sulfane'] |
|---|
| Withdrawn Flag | False |
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| Orphan | -1 |
|---|
