Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L6FKW1
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| Ligand Name |
(3s,4s,5r)-3-{4-Amino-3-Fluoro-5-[(2s)-3,3,3-Trifluoro-2-Hydroxypropyl]benzyl}-5-[(3-Tert-Butylbenzyl)amino]tetrahydro-2h-Thiopyran-4-Ol 1,1-Dioxide
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| Synonyms |
CHEMBL2047912; (3s,4s,5r)-3-{4-Amino-3-Fluoro-5-[(2s)-3,3,3-Trifluoro-2-Hydroxypropyl]benzyl}-5-[(3-Tert-Butylbenzyl)amino]tetrahydro-2h-Thiopyran-4-Ol 1,1-Dioxide; SCHEMBL1908510; BDBM50386496; Q27458571; (3S*,4S*,5R*)-3-[4-Amino-3-fluoro-5-((S)-3,3,3-trifluoro-2-hydroxy-propyl)-benzyl]-5-(3-tert-butyl-benzylamino)-1,1-dioxo-hexahydro-1lambda*6*-thiopyran-4-ol; BXQ
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| Structure |
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Download2D MOL |
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| Formula |
C26H34F4N2O4S
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| Canonical SMILES |
CC(C)(C)C1=CC=CC(=C1)CNC2CS(=O)(=O)CC(C2O)CC3=CC(=C(C(=C3)F)N)CC(C(F)(F)F)O
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| InChI |
1S/C26H34F4N2O4S/c1-25(2,3)19-6-4-5-15(9-19)12-32-21-14-37(35,36)13-18(24(21)34)8-16-7-17(23(31)20(27)10-16)11-22(33)26(28,29)30/h4-7,9-10,18,21-22,24,32-34H,8,11-14,31H2,1-3H3/t18-,21+,22+,24+/m1/s1
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| InChIKey |
GCVKLIOGBJALOK-VPJOFFEXSA-N
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| PubChem Compound ID | ||||
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