Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LC7L9I
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| Ligand Name |
(3s,4s,5r)-3-(4-Amino-3-{[(2r)-3-Ethoxy-1,1,1-Trifluoropropan-2-Yl]oxy}-5-Fluorobenzyl)-5-[(3-Tert-Butylbenzyl)amino]tetrahydro-2h-Thiopyran-4-Ol 1,1-Dioxide
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| Synonyms |
CHEMBL2048051; (3s,4s,5r)-3-(4-Amino-3-{[(2r)-3-Ethoxy-1,1,1-Trifluoropropan-2-Yl]oxy}-5-Fluorobenzyl)-5-[(3-Tert-Butylbenzyl)amino]tetrahydro-2h-Thiopyran-4-Ol 1,1-Dioxide; BXD; BDBM50386513; Q27458567
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| Structure |
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Download2D MOL |
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| Formula |
C28H38F4N2O5S
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| Canonical SMILES |
CCOCC(C(F)(F)F)OC1=C(C(=CC(=C1)CC2CS(=O)(=O)CC(C2O)NCC3=CC(=CC=C3)C(C)(C)C)F)N
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| InChI |
1S/C28H38F4N2O5S/c1-5-38-14-24(28(30,31)32)39-23-12-18(11-21(29)25(23)33)9-19-15-40(36,37)16-22(26(19)35)34-13-17-7-6-8-20(10-17)27(2,3)4/h6-8,10-12,19,22,24,26,34-35H,5,9,13-16,33H2,1-4H3/t19-,22+,24-,26+/m1/s1
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| InChIKey |
UJZFSYZNJMWXJO-NJONLQHESA-N
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| PubChem Compound ID | ||||
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