Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L42CUD
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| Ligand Name |
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-5-methoxy-6-[(3R,4R,5S)-4-oxidanyl-5-(4-pyrimidin-5-yl-1,2,3-triazol-1-yl)oxan-3-yl]sulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-3-ol
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| Synonyms |
CHEMBL5091613; (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-5-methoxy-6-[(3R,4R,5S)-4-oxidanyl-5-(4-pyrimidin-5-yl-1,2,3-triazol-1-yl)oxan-3-yl]sulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-3-ol; H5O; SCHEMBL23924959; BDBM50581774
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| Structure |
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Download2D MOL |
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| Formula |
C26H27F3N8O6S
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| Canonical SMILES |
COC1C(C(C(OC1SC2COCC(C2O)N3C=C(N=N3)C4=CN=CN=C4)CO)O)N5C=C(N=N5)C6=CC(=C(C(=C6)F)F)F
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| InChI |
1S/C26H27F3N8O6S/c1-41-25-22(37-7-16(32-35-37)12-2-14(27)21(29)15(28)3-12)24(40)19(8-38)43-26(25)44-20-10-42-9-18(23(20)39)36-6-17(33-34-36)13-4-30-11-31-5-13/h2-7,11,18-20,22-26,38-40H,8-10H2,1H3/t18-,19+,20+,22-,23+,24-,25+,26-/m0/s1
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| InChIKey |
XUWUKOCAMCFANQ-COQUQQDQSA-N
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| PubChem Compound ID | ||||
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