Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L8QN5U
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| Ligand Name |
(3s)-8-(2-Amino-6-{(1r)-1-[5-Chloro-3'-(Methylsulfonyl)[1,1'-Biphenyl]-2-Yl]-2,2,2-Trifluoroethoxy}pyrimidin-4-Yl)-2,8-Diazaspiro[4.5]decane-3-Carboxylic Acid
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| Synonyms |
CHEMBL4086156; (3s)-8-(2-Amino-6-{(1r)-1-[5-Chloro-3'-(Methylsulfonyl)[1,1'-Biphenyl]-2-Yl]-2,2,2-Trifluoroethoxy}pyrimidin-4-Yl)-2,8-Diazaspiro[4.5]decane-3-Carboxylic Acid; SCHEMBL16566957; BDBM50234218; (S)-8-(2-amino-6-((R)-1-(5-chloro-3'-(methylsulfonyl)-[1,1'-biphenyl]-2-yl)-2,2,2-trifluoroethoxy)pyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid; 7H5
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| Structure |
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Download2D MOL |
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| Formula |
C28H29ClF3N5O5S
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| Canonical SMILES |
CS(=O)(=O)C1=CC=CC(=C1)C2=C(C=CC(=C2)Cl)C(C(F)(F)F)OC3=NC(=NC(=C3)N4CCC5(CC4)CC(NC5)C(=O)O)N
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| InChI |
1S/C28H29ClF3N5O5S/c1-43(40,41)18-4-2-3-16(11-18)20-12-17(29)5-6-19(20)24(28(30,31)32)42-23-13-22(35-26(33)36-23)37-9-7-27(8-10-37)14-21(25(38)39)34-15-27/h2-6,11-13,21,24,34H,7-10,14-15H2,1H3,(H,38,39)(H2,33,35,36)/t21-,24+/m0/s1
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| InChIKey |
VILFJXJLOMHHDU-XUZZJYLKSA-N
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| PubChem Compound ID | ||||
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