regorafenib

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 259
Total Number of Articles : 316
PubChem 11167602
Molecular Formula

C21H15ClF4N4O3

SMILES

CNC(=O)C1=NC=CC(=C1)OC2=CC(=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)F

InChI

InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32)

synonyms
  • Regorafenib
  • 755037-03-7
  • BAY 73-4506
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Properties
Property Value
MW 482.8 g/mol
HBD 3
HBA 8
Rotatable Bond Count 5
Exact Mass 482.0768807 g/mol
Monoisotopic Mass 482.0768807 g/mol
Heavy Atom Count 33
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 686
xlogp 4.2
Topological Polar Surface Area 92.4