halofuginone

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 155
Total Number of Articles : 122
PubChem 37888353
Molecular Formula

C16H17BrClN3O3

SMILES

C1C[C@H]([C@H](NC1)CC(=O)CN2C=NC3=CC(=C(C=C3C2=O)Cl)Br)O

InChI

InChI=1S/C16H17BrClN3O3/c17-11-6-13-10(5-12(11)18)16(24)21(8-20-13)7-9(22)4-14-15(23)2-1-3-19-14/h5-6,8,14-15,19,23H,1-4,7H2/t14-,15-/m1/s1

synonyms
  • Halofuginone
  • SCHEMBL12261322
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Properties
Property Value
MW 414.7 g/mol
HBD 2
HBA 5
Rotatable Bond Count 4
Exact Mass 413.01418 g/mol
Monoisotopic Mass 413.01418 g/mol
Heavy Atom Count 24
Isotope Atom Count 0
Atom Stereo Count 2
Covalent Unit Count 1
Complexity 533
xlogp 1.4
Topological Polar Surface Area 82