Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LG1C6N
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| Ligand Name |
(2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol
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| Synonyms |
CHEMBL4101888; (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol; BDBM50247504; J4E
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| Structure |
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Download2D MOL |
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| Formula |
C21H22FN3O4S
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| Canonical SMILES |
CC1=CC=C(C=C1)SC2C(C(C(C(O2)CO)O)N3C=C(N=N3)C4=CC=C(C=C4)F)O
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| InChI |
1S/C21H22FN3O4S/c1-12-2-8-15(9-3-12)30-21-20(28)18(19(27)17(11-26)29-21)25-10-16(23-24-25)13-4-6-14(22)7-5-13/h2-10,17-21,26-28H,11H2,1H3/t17-,18+,19+,20-,21+/m1/s1
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| InChIKey |
LEJGTTBPRKJROI-IFLJBQAJSA-N
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| PubChem Compound ID | ||||
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