Vemurafenib

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 415
Total Number of Articles : 1265
PubChem 42611257
Molecular Formula

C23H18ClF2N3O3S

SMILES

CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)C4=CC=C(C=C4)Cl)F

InChI

InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28)

synonyms
  • Vemurafenib
  • 918504-65-1
  • PLX4032
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Properties
Property Value
MW 489.9 g/mol
HBD 2
HBA 7
Rotatable Bond Count 7
Exact Mass 489.0725466 g/mol
Monoisotopic Mass 489.0725466 g/mol
Heavy Atom Count 33
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 790
xlogp 5
Topological Polar Surface Area 100