| BioID | bio199577 |
|---|
| Name | 1-(4-{4-[4-(2-ISOPROPYL-PHENYLSULFANYL)-3-TRIFLUOROMETHYL-PHENYL]-OXAZOL-2-YL}-PIPERAZIN-1-YL)-ETHANONE (STRUCTURAL MIX) |
|---|
| ChEMBL ID | CHEMBL361628 |
|---|
| Molecular Formula | C25H26F3N3O2S |
|---|
| Molecular Weight | 489.56 |
|---|
| Molecular Weight (Monoisotopic) | 489.1698 |
|---|
| Type | Small molecule |
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| Max Phase | -- |
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| Target ID | Tar81 |
|---|
| Target Name | None |
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| Synonyms | None |
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| Smiles | CC(=O)N1CCN(c2nc(-c3ccc(Sc4ccccc4C(C)C)c(C(F)(F)F)c3)co2)CC1 |
|---|
| Inchi | InChI=1S/C25H26F3N3O2S/c1-16(2)19-6-4-5-7-22(19)34-23-9-8-18(14-20(23)25(26,27)28)21-15-33-24(29-21)31-12-10-30(11-13-31)17(3)32/h4-9,14-16H,10-13H2,1-3H3 |
|---|
| Inchi Key | MVRMZEXFMDYXCV-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 2.0 |
|---|
| Bioactivities | 3.0 |
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| Np Likeness Score | -0.97 |
|---|
| Records Key | ['21a (Trans)', '21a', '72g'] |
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| Records Name | ['1-(4-{4-[4-(2-Isopropyl-phenylsulfanyl)-3-trifluoromethyl-phenyl]-oxazol-2-yl}-piperazin-1-yl)-ethanone', '1-(4-{4-[4-(2-Isopropyl-phenylsulfanyl)-3-trifluoromethyl-phenyl]-oxazol-2-yl}-piperazin-1-yl)-ethanone', '1-(4-(4-(4-((2-isopropylphenyl)thio)-3-(trifluoromethyl)phenyl)oxazol-2-yl)piperazin-1-yl)ethan-1-one'] |
|---|
| Withdrawn Flag | False |
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| Orphan | -1 |
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