| BioID | bio3218 |
|---|
| Name | FOSNETUPITANT CHLORIDE HYDROCHLORIDE |
|---|
| ChEMBL ID | CHEMBL3989919 |
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| Molecular Formula | C31H37Cl2F6N4O5P |
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| Molecular Weight | 761.53 |
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| Molecular Weight (Monoisotopic) | 688.2249 |
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| Type | Small molecule |
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| Max Phase | Phase 4 |
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| Target ID | Tar12 |
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| Target Name | Toll-like receptor 9 (TLR9) |
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| Synonyms | 08-PNET|FOSNETUPITANT CHLORIDE|FOSNETUPITANT CHLORIDE HYDROCHLORIDE|FOSNETUPITANT DIHYDROCHLORIDE |
|---|
| Smiles | Cc1ccccc1-c1cc(N2CC[N+](C)(COP(=O)(O)O)CC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.Cl.[Cl-] |
|---|
| Inchi | InChI=1S/C31H35F6N4O5P.2ClH/c1-20-8-6-7-9-24(20)25-17-27(40-10-12-41(5,13-11-40)19-46-47(43,44)45)38-18-26(25)39(4)28(42)29(2,3)21-14-22(30(32,33)34)16-23(15-21)31(35,36)37;;/h6-9,14-18H,10-13,19H2,1-5H3,(H-,43,44,45);2*1H |
|---|
| Inchi Key | LBTQUZNIWCWBNN-UHFFFAOYSA-N |
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| Molecular Species | ACID |
|---|
| Targets | None |
|---|
| Bioactivities | None |
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| Np Likeness Score | -0.73 |
|---|
| Records Key | ['FOSNETUPITANT CHLORIDE HYDROCHLORIDE', 'FOSNETUPITANT CHLORIDE HYDROCHLORIDE'] |
|---|
| Records Name | ['FOSNETUPITANT CHLORIDE HYDROCHLORIDE', 'FOSNETUPITANT CHLORIDE HYDROCHLORIDE'] |
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| Withdrawn Flag | False |
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| Orphan | 0 |
|---|
