| BioID | bio198728 |
|---|
| Name | 4-BENZENESULFINYLMETHYL-1-[2-(5-FLUORO-1H-INDOL-3-YL)-ETHYL]-PIPERIDIN-4-OL (STRUCTURAL MIX) |
|---|
| ChEMBL ID | CHEMBL60064 |
|---|
| Molecular Formula | C22H25FN2O2S |
|---|
| Molecular Weight | 400.52 |
|---|
| Molecular Weight (Monoisotopic) | 400.1621 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | GR-149861 |
|---|
| Smiles | [O-][S+](CC1(O)CCN(CCc2c[nH]c3ccc(F)cc23)CC1)c1ccccc1 |
|---|
| Inchi | InChI=1S/C22H25FN2O2S/c23-18-6-7-21-20(14-18)17(15-24-21)8-11-25-12-9-22(26,10-13-25)16-28(27)19-4-2-1-3-5-19/h1-7,14-15,24,26H,8-13,16H2 |
|---|
| Inchi Key | VWIWOPFCNLLGBQ-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 2.0 |
|---|
| Bioactivities | 3.0 |
|---|
| Np Likeness Score | -0.57 |
|---|
| Records Key | ['6', '(+/-)2a', '9'] |
|---|
| Records Name | ['4-Benzenesulfinylmethyl-1-[2-(5-fluoro-1H-indol-3-yl)-ethyl]-piperidin-4-ol', '1-[3-(5-Fluoro-1H-indol-3-yl)-ethyl]-4-(methylsulfinyl)benzene-piperidin-4-ol', '4-Benzenesulfinylmethyl-1-[2-(5-fluoro-1H-indol-3-yl)-ethyl]-piperidin-4-ol'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
