larotrectinib

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 34
Total Number of Articles : 128
PubChem 46188928
Molecular Formula

C21H22F2N6O2

SMILES

C1C[C@@H](N(C1)C2=NC3=C(C=NN3C=C2)NC(=O)N4CC[C@@H](C4)O)C5=C(C=CC(=C5)F)F

InChI

InChI=1S/C21H22F2N6O2/c22-13-3-4-16(23)15(10-13)18-2-1-7-28(18)19-6-9-29-20(26-19)17(11-24-29)25-21(31)27-8-5-14(30)12-27/h3-4,6,9-11,14,18,30H,1-2,5,7-8,12H2,(H,25,31)/t14-,18+/m0/s1

synonyms
  • Larotrectinib
  • 1223403-58-4
  • LOXO-101
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Properties
Property Value
MW 428.4 g/mol
HBD 2
HBA 7
Rotatable Bond Count 3
Exact Mass 428.17723029 g/mol
Monoisotopic Mass 428.17723029 g/mol
Heavy Atom Count 31
Isotope Atom Count 0
Atom Stereo Count 2
Covalent Unit Count 1
Complexity 659
xlogp 1.7
Topological Polar Surface Area 86