Repotrectinib

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 15
Total Number of Articles : 12
PubChem 135565923
Molecular Formula

C18H18FN5O2

SMILES

C[C@H]1CNC(=O)C2=C3N=C(C=CN3N=C2)N[C@@H](C4=C(O1)C=CC(=C4)F)C

InChI

InChI=1S/C18H18FN5O2/c1-10-8-20-18(25)14-9-21-24-6-5-16(23-17(14)24)22-11(2)13-7-12(19)3-4-15(13)26-10/h3-7,9-11H,8H2,1-2H3,(H,20,25)(H,22,23)/t10-,11+/m0/s1

synonyms
  • Repotrectinib
  • 1802220-02-5
  • TPX-0005
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Properties
Property Value
MW 355.4 g/mol
HBD 2
HBA 6
Rotatable Bond Count 0
Exact Mass 355.14445300 g/mol
Monoisotopic Mass 355.14445300 g/mol
Heavy Atom Count 26
Isotope Atom Count 0
Atom Stereo Count 2
Covalent Unit Count 1
Complexity 524
xlogp 2.1
Topological Polar Surface Area 80.6