st-168

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 2
Total Number of Articles : 1
PubChem 145439085
Molecular Formula

C41H44F5IN10O7

SMILES

C1CN(CCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5)C(=O)CCOCCOCCOCCONC(=O)C6=C(C(=C(C=C6)F)F)NC7=C(C=C(C=C7)I)F

InChI

InChI=1S/C41H44F5IN10O7/c42-28-7-6-27(35(34(28)44)48-30-8-5-26(47)25-29(30)43)38(59)53-64-24-23-63-22-21-62-20-19-60-16-9-33(58)54-10-12-55(13-11-54)39-50-40(56-14-17-61-18-15-56)52-41(51-39)57-32-4-2-1-3-31(32)49-37(57)36(45)46/h1-8,25,36,48H,9-24H2,(H,53,59)

synonyms
  • CHEMBL4127114
  • ST-168
  • 2126038-25-1
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Properties
Property Value
MW 1010.7 g/mol
HBD 2
HBA 19
Rotatable Bond Count 20
Exact Mass 1010.23593 g/mol
Monoisotopic Mass 1010.23593 g/mol
Heavy Atom Count 64
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 1440
xlogp 5.5
Topological Polar Surface Area 171