| BioID | bio200535 |
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| Name | QUININE SULFATE |
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| ChEMBL ID | CHEMBL2359966 |
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| Molecular Formula | C40H54N4O10S |
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| Molecular Weight | 782.96 |
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| Molecular Weight (Monoisotopic) | 324.1838 |
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| Type | Small molecule |
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| Max Phase | Phase 4 |
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| Target ID | Tar81 |
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| Target Name | None |
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| Synonyms | ANHYDROUS QUININE SULFATE|CHININUM SULPHURICUM|FEMA NO. 2977|GLS 1200|GLS-1200|GLS1200|NSC-5362|NSC-757298|QUALAQUIN|QUINAMM|QUINATE|QUININE HEMISULFATE ANHYDROUS|QUININE SULFATE|QUININE SULFATE (2:1)|QUININE SULFATE ANHYDROUS|QUININE SULFATE DIHYDRATE|QUININE SULFATE HYDRATE|QUININE SULPHATE|QUININE, SULFATE (2:1) (SALT)|Quinine sulfate |
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| Smiles | C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12.C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12.O.O.O=S(=O)(O)O |
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| Inchi | InChI=1S/2C20H24N2O2.H2O4S.2H2O/c2*1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-5(2,3)4;;/h2*3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H2,1,2,3,4);2*1H2/t2*13-,14-,19-,20+;;;/m00.../s1 |
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| Inchi Key | ZHNFLHYOFXQIOW-LPYZJUEESA-N |
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| Molecular Species | BASE |
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| Targets | 11.0 |
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| Bioactivities | 38.0 |
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| Np Likeness Score | 0.83 |
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| Records Key | ['QUININE SULFATE', 'NCGC00094318-01', 'quinine', 'QUININE SULFATE', 'Quinine Sulfate', '6.(0.5 H2SO4)', 'QUININE SULFATE', 'Quinine sulfate', 'SID144206988', '24', 'Quinine Sulfate', 'QUININE SULFATE', 'Quinine Sulfate', 'QUININE SULFATE', 'Quinine sulfate'] |
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| Records Name | ['QUININE SULFATE', 'Quinine sulfate', 'quinine sulfate', 'QUININE SULFATE', 'Quinine Sulfate', 'Quinine hemisulfate', 'QUININE SULFATE', 'Quinine sulfate', 'SID144206988', 'quinine sulfate', 'Quinine Sulfate', 'QUININE SULFATE', 'Quinine Sulfate', 'QUININE SULFATE', 'Quinine sulfate'] |
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| Withdrawn Flag | False |
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| Orphan | 0 |
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