Gefitinib

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 1108
Total Number of Articles : 3909
PubChem 123631
Molecular Formula

C22H24ClFN4O3

SMILES

COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4

InChI

InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)

synonyms
  • Gefitinib
  • 184475-35-2
  • Iressa
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Properties
Property Value
MW 446.9 g/mol
HBD 1
HBA 8
Rotatable Bond Count 8
Exact Mass 446.1520965 g/mol
Monoisotopic Mass 446.1520965 g/mol
Heavy Atom Count 31
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 545
xlogp 4.1
Topological Polar Surface Area 68.7