dabrafenib

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 168
Total Number of Articles : 651
PubChem 44462760
Molecular Formula

C23H20F3N5O2S2

SMILES

CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F

InChI

InChI=1S/C23H20F3N5O2S2/c1-23(2,3)21-30-18(19(34-21)16-10-11-28-22(27)29-16)12-6-4-9-15(17(12)26)31-35(32,33)20-13(24)7-5-8-14(20)25/h4-11,31H,1-3H3,(H2,27,28,29)

synonyms
  • Dabrafenib
  • 1195765-45-7
  • Tafinlar
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Properties
Property Value
MW 519.6 g/mol
HBD 2
HBA 11
Rotatable Bond Count 6
Exact Mass 519.10105173 g/mol
Monoisotopic Mass 519.10105173 g/mol
Heavy Atom Count 35
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 817
xlogp 4.8
Topological Polar Surface Area 148