nilotinib

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 403
Total Number of Articles : 688
PubChem 644241
Molecular Formula

C28H22F3N7O

SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5

InChI

InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)

synonyms
  • Nilotinib
  • 641571-10-0
  • Tasigna
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Properties
Property Value
MW 529.5 g/mol
HBD 2
HBA 9
Rotatable Bond Count 6
Exact Mass 529.18379284 g/mol
Monoisotopic Mass 529.18379284 g/mol
Heavy Atom Count 39
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 817
xlogp 4.9
Topological Polar Surface Area 97.6