VX680

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 71
Total Number of Articles : 71
PubChem 5494449
Molecular Formula

C23H28N8OS

SMILES

CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C

InChI

InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)

synonyms
  • Tozasertib
  • 639089-54-6
  • VX-680
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Properties
Property Value
MW 464.6 g/mol
HBD 3
HBA 8
Rotatable Bond Count 7
Exact Mass 464.21067872 g/mol
Monoisotopic Mass 464.21067872 g/mol
Heavy Atom Count 33
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 650
xlogp 3.4
Topological Polar Surface Area 127