ponatinib

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 215
Total Number of Articles : 274
PubChem 24826799
Molecular Formula

C29H27F3N6O

SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5

InChI

InChI=1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)

synonyms
  • PONATINIB
  • 943319-70-8
  • AP24534
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Properties
Property Value
MW 532.6 g/mol
HBD 1
HBA 8
Rotatable Bond Count 6
Exact Mass 532.21984399 g/mol
Monoisotopic Mass 532.21984399 g/mol
Heavy Atom Count 39
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 910
xlogp 4.1
Topological Polar Surface Area 65.8