Bioactive Compound Details

BioIDbio198512
NameNone
ChEMBL IDCHEMBL2022772
Molecular FormulaC18H22F2N4O9
Molecular Weight476.39
Molecular Weight (Monoisotopic)476.1355
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms4-azide-2-difluoromethylphenyl sialoside
SmilesCC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](Oc2ccc(N=[N+]=[N-])cc2C(F)F)(C(=O)O)C[C@@H]1O
InchiInChI=1S/C18H22F2N4O9/c1-7(26)22-13-10(27)5-18(17(30)31,33-15(13)14(29)11(28)6-25)32-12-3-2-8(23-24-21)4-9(12)16(19)20/h2-4,10-11,13-16,25,27-29H,5-6H2,1H3,(H,22,26)(H,30,31)/t10-,11+,13+,14+,15+,18+/m0/s1
Inchi KeyFFUCFCRIVLTBLM-ZZYXIFPLSA-N
Molecular SpeciesACID
Targets2.0
Bioactivities6.0
Np Likeness Score0.54
Records Key['2, 4-azide-2-difluoromethylphenyl sialoside']
Records Name['2-Difluoromethyl-4-azidophenyl 5-acetoamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure