Fedratinib

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 71
Total Number of Articles : 97
PubChem 16722836
Molecular Formula

C27H36N6O3S

SMILES

CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4

InChI

InChI=1S/C27H36N6O3S/c1-20-19-28-26(30-21-10-12-23(13-11-21)36-17-16-33-14-5-6-15-33)31-25(20)29-22-8-7-9-24(18-22)37(34,35)32-27(2,3)4/h7-13,18-19,32H,5-6,14-17H2,1-4H3,(H2,28,29,30,31)

synonyms
  • Fedratinib
  • 936091-26-8
  • Tg-101348
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Properties
Property Value
MW 524.7 g/mol
HBD 3
HBA 9
Rotatable Bond Count 11
Exact Mass 524.25696021 g/mol
Monoisotopic Mass 524.25696021 g/mol
Heavy Atom Count 37
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 787
xlogp 4.8
Topological Polar Surface Area 117