Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L7JX0S
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| Ligand Name |
(3r,4s,5s)-3-[(3-Tert-Butylbenzyl)amino]-5-{[3-(2,2-Difluoroethyl)-1h-Indol-5-Yl]methyl}tetrahydro-2h-Thiopyran-4-Ol 1,1-Dioxide
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| Synonyms |
CHEMBL2047898; (3r,4s,5s)-3-[(3-Tert-Butylbenzyl)amino]-5-{[3-(2,2-Difluoroethyl)-1h-Indol-5-Yl]methyl}tetrahydro-2h-Thiopyran-4-Ol 1,1-Dioxide; 0GT; BDBM50386533; Q27451086
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| Structure |
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Download2D MOL |
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| Formula |
C27H34F2N2O3S
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| Canonical SMILES |
CC(C)(C)C1=CC=CC(=C1)CNC2CS(=O)(=O)CC(C2O)CC3=CC4=C(C=C3)NC=C4CC(F)F
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| InChI |
1S/C27H34F2N2O3S/c1-27(2,3)21-6-4-5-18(10-21)13-30-24-16-35(33,34)15-20(26(24)32)9-17-7-8-23-22(11-17)19(14-31-23)12-25(28)29/h4-8,10-11,14,20,24-26,30-32H,9,12-13,15-16H2,1-3H3/t20-,24+,26+/m1/s1
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| InChIKey |
OOZZVYSXZBAROL-PSUQPPDWSA-N
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| PubChem Compound ID | ||||
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