RO5126766

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 17
Total Number of Articles : 17
PubChem 16719221
Molecular Formula

C21H18FN5O5S

SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OC3=NC=CC=N3)CC4=C(C(=NC=C4)NS(=O)(=O)NC)F

InChI

InChI=1S/C21H18FN5O5S/c1-12-15-5-4-14(31-21-25-7-3-8-26-21)11-17(15)32-20(28)16(12)10-13-6-9-24-19(18(13)22)27-33(29,30)23-2/h3-9,11,23H,10H2,1-2H3,(H,24,27)

synonyms
  • avutometinib
  • RO5126766
  • CH5126766
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Properties
Property Value
MW 471.5 g/mol
HBD 2
HBA 11
Rotatable Bond Count 7
Exact Mass 471.10126803 g/mol
Monoisotopic Mass 471.10126803 g/mol
Heavy Atom Count 33
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 844
xlogp 2
Topological Polar Surface Area 141