cobimetinib

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 79
Total Number of Articles : 161
PubChem 16222096
Molecular Formula

C21H21F3IN3O2

SMILES

C1CCN[C@@H](C1)C2(CN(C2)C(=O)C3=C(C(=C(C=C3)F)F)NC4=C(C=C(C=C4)I)F)O

InChI

InChI=1S/C21H21F3IN3O2/c22-14-6-5-13(19(18(14)24)27-16-7-4-12(25)9-15(16)23)20(29)28-10-21(30,11-28)17-3-1-2-8-26-17/h4-7,9,17,26-27,30H,1-3,8,10-11H2/t17-/m0/s1

synonyms
  • Cobimetinib
  • 934660-93-2
  • XL518
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Properties
Property Value
MW 531.3 g/mol
HBD 3
HBA 7
Rotatable Bond Count 4
Exact Mass 531.06306 g/mol
Monoisotopic Mass 531.06306 g/mol
Heavy Atom Count 30
Isotope Atom Count 0
Atom Stereo Count 1
Covalent Unit Count 1
Complexity 624
xlogp 3.9
Topological Polar Surface Area 64.6