Canertinib

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 60
Total Number of Articles : 77
PubChem 156414
Molecular Formula

C24H25ClFN5O3

SMILES

C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4

InChI

InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29)

synonyms
  • Canertinib
  • 267243-28-7
  • CI-1033
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Properties
Property Value
MW 485.9 g/mol
HBD 2
HBA 8
Rotatable Bond Count 9
Exact Mass 485.1629955 g/mol
Monoisotopic Mass 485.1629955 g/mol
Heavy Atom Count 34
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 671
xlogp 3.9
Topological Polar Surface Area 88.6