| BioID | bio2090 |
|---|
| Name | VOFOPITANT DIHYDROCHLORIDE |
|---|
| ChEMBL ID | CHEMBL557983 |
|---|
| Molecular Formula | C21H25Cl2F3N6O |
|---|
| Molecular Weight | 505.37 |
|---|
| Molecular Weight (Monoisotopic) | 432.1885 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Unknown |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | GR-205171|GR-205171A|GR205171A|VOFOPITANT DIHYDROCHLORIDE |
|---|
| Smiles | COc1ccc(-n2nnnc2C(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1.Cl.Cl |
|---|
| Inchi | InChI=1S/C21H23F3N6O.2ClH/c1-31-18-10-9-16(30-20(21(22,23)24)27-28-29-30)12-15(18)13-26-17-8-5-11-25-19(17)14-6-3-2-4-7-14;;/h2-4,6-7,9-10,12,17,19,25-26H,5,8,11,13H2,1H3;2*1H/t17-,19-;;/m0../s1 |
|---|
| Inchi Key | YVNRXILPJNISEM-FFUVTKDNSA-N |
|---|
| Molecular Species | BASE |
|---|
| Targets | 2.0 |
|---|
| Bioactivities | 3.0 |
|---|
| Np Likeness Score | -1.28 |
|---|
| Records Key | ['13k, GR-205171', '56, GR205171', 'VOFOPITANT DIHYDROCHLORIDE'] |
|---|
| Records Name | ['[2-Methoxy-5-(5-trifluoromethyl-tetrazol-1-yl)-benzyl]-((2S,3S)-2-phenyl-piperidin-3-yl)-amine dihydrochloride', '(2S,3S)-N-(2-Methoxy-5-(5-(trifluoromethyl)-1H-tetrazol-1-yl)benzyl)-2-phenylpiperidin-3-amine dihydrchloride', 'VOFOPITANT DIHYDROCHLORIDE'] |
|---|
| Withdrawn Flag | False |
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| Orphan | 0 |
|---|
