pexidartinib

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 42
Total Number of Articles : 76
PubChem 25151352
Molecular Formula

C20H15ClF3N5

SMILES

C1=CC(=NC=C1CC2=CNC3=C2C=C(C=N3)Cl)NCC4=CN=C(C=C4)C(F)(F)F

InChI

InChI=1S/C20H15ClF3N5/c21-15-6-16-14(10-28-19(16)29-11-15)5-12-2-4-18(26-7-12)27-9-13-1-3-17(25-8-13)20(22,23)24/h1-4,6-8,10-11H,5,9H2,(H,26,27)(H,28,29)

synonyms
  • Pexidartinib
  • 1029044-16-3
  • PLX3397
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Properties
Property Value
MW 417.8 g/mol
HBD 2
HBA 7
Rotatable Bond Count 5
Exact Mass 417.0968077 g/mol
Monoisotopic Mass 417.0968077 g/mol
Heavy Atom Count 29
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 537
xlogp 4.5
Topological Polar Surface Area 66.5