Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L58APX
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| Ligand Name |
(2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-[3,5-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol
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| Synonyms |
CHEMBL4068730; (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-[3,5-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol; BDBM50247510; J4N
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| Structure |
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Download2D MOL |
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| Formula |
C21H21F2N3O4S
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| Canonical SMILES |
CC1=CC=C(C=C1)SC2C(C(C(C(O2)CO)O)N3C=C(N=N3)C4=CC(=CC(=C4)F)F)O
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| InChI |
1S/C21H21F2N3O4S/c1-11-2-4-15(5-3-11)31-21-20(29)18(19(28)17(10-27)30-21)26-9-16(24-25-26)12-6-13(22)8-14(23)7-12/h2-9,17-21,27-29H,10H2,1H3/t17-,18+,19+,20-,21+/m1/s1
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| InChIKey |
QACLTXLGBFUVST-IFLJBQAJSA-N
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| PubChem Compound ID | ||||
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