Lapatinib

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 496
Total Number of Articles : 1485
PubChem 208908
Molecular Formula

C29H26ClFN4O4S

SMILES

CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl

InChI

InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)

synonyms
  • Lapatinib
  • 231277-92-2
  • Lapatinib Ditosylate
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Properties
Property Value
MW 581.1 g/mol
HBD 2
HBA 9
Rotatable Bond Count 11
Exact Mass 580.1347324 g/mol
Monoisotopic Mass 580.1347324 g/mol
Heavy Atom Count 40
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 898
xlogp 5.1
Topological Polar Surface Area 115