toceranib phosphate

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 9
Total Number of Articles : 12
PubChem 16034840
Molecular Formula

C22H28FN4O6P

SMILES

CC1=C(NC(=C1C(=O)NCCN2CCCC2)C)/C=C\3/C4=C(C=CC(=C4)F)NC3=O.OP(=O)(O)O

InChI

InChI=1S/C22H25FN4O2.H3O4P/c1-13-19(12-17-16-11-15(23)5-6-18(16)26-21(17)28)25-14(2)20(13)22(29)24-7-10-27-8-3-4-9-27;1-5(2,3)4/h5-6,11-12,25H,3-4,7-10H2,1-2H3,(H,24,29)(H,26,28);(H3,1,2,3,4)/b17-12-;

synonyms
  • Toceranib phosphate
  • 874819-74-6
  • Palladia
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Properties
Property Value
MW 494.5 g/mol
HBD 6
HBA 8
Rotatable Bond Count 5
Exact Mass 494.17304979 g/mol
Monoisotopic Mass 494.17304979 g/mol
Heavy Atom Count 34
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 2
Complexity 713
xlogp None
Topological Polar Surface Area 155