gilteritinib

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 59
Total Number of Articles : 132
PubChem 49803313
Molecular Formula

C29H44N8O3

SMILES

CCC1=C(N=C(C(=N1)C(=O)N)NC2=CC(=C(C=C2)N3CCC(CC3)N4CCN(CC4)C)OC)NC5CCOCC5

InChI

InChI=1S/C29H44N8O3/c1-4-23-28(31-20-9-17-40-18-10-20)34-29(26(33-23)27(30)38)32-21-5-6-24(25(19-21)39-3)37-11-7-22(8-12-37)36-15-13-35(2)14-16-36/h5-6,19-20,22H,4,7-18H2,1-3H3,(H2,30,38)(H2,31,32,34)

synonyms
  • Gilteritinib
  • 1254053-43-4
  • ASP2215
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Properties
Property Value
MW 552.7 g/mol
HBD 3
HBA 10
Rotatable Bond Count 9
Exact Mass 552.35363730 g/mol
Monoisotopic Mass 552.35363730 g/mol
Heavy Atom Count 40
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 785
xlogp 3.5
Topological Polar Surface Area 121