crizotinib

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 18
Total Number of Articles : 38
PubChem 11626560
Molecular Formula

C21H22Cl2FN5O

SMILES

C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N

InChI

InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1

synonyms
  • Crizotinib
  • 877399-52-5
  • PF-02341066
Click to show/hide the synonyms
Properties
Property Value
MW 450.3 g/mol
HBD 2
HBA 6
Rotatable Bond Count 5
Exact Mass 449.1185439 g/mol
Monoisotopic Mass 449.1185439 g/mol
Heavy Atom Count 30
Isotope Atom Count 0
Atom Stereo Count 1
Covalent Unit Count 1
Complexity 558
xlogp 3.7
Topological Polar Surface Area 78