| BioID | bio3007 |
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| Name | DOLASETRON MESYLATE |
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| ChEMBL ID | CHEMBL2368924 |
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| Molecular Formula | C20H26N2O7S |
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| Molecular Weight | 438.5 |
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| Molecular Weight (Monoisotopic) | 324.1474 |
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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 | ANZEMET|DOLASETRON MESILATE|DOLASETRON MESILATE MONOHYDRATE|DOLASETRON MESYLATE|DOLASETRON MESYLATE ANHYDROUS|DOLASETRON MESYLATE MONOHYDRATE|DOLASETRON METHANESULFONATE|MDL 73,147EF|MDL-73147EF |
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| Smiles | CS(=O)(=O)O.O.O=C(O[C@@H]1C[C@@H]2C[C@H]3C[C@H](C1)N2CC3=O)c1c[nH]c2ccccc12 |
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| Inchi | InChI=1S/C19H20N2O3.CH4O3S.H2O/c22-18-10-21-12-5-11(18)6-13(21)8-14(7-12)24-19(23)16-9-20-17-4-2-1-3-15(16)17;1-5(2,3)4;/h1-4,9,11-14,20H,5-8,10H2;1H3,(H,2,3,4);1H2/t11-,12-,13+,14+;; |
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| Inchi Key | QTFFGPOXNNGTGZ-LIFGOUTFSA-N |
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| Molecular Species | NEUTRAL |
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| Targets | 1.0 |
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| Bioactivities | 1.0 |
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| Np Likeness Score | 0.43 |
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| Records Key | ['DOLASETRON MESYLATE', 'DOLASETRON MESYLATE', 'DOLASETRON MESYLATE', 'Dolasetron mesylate', 'DOLASETRON MESYLATE'] |
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| Records Name | ['DOLASETRON MESYLATE', 'DOLASETRON MESYLATE', 'DOLASETRON MESYLATE', 'Dolasetron mesylate', 'DOLASETRON MESYLATE'] |
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| Withdrawn Flag | False |
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| Orphan | 0 |
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