Chemical Compound

MK-5108

CAS Registry Number1010085-13-8
MK-5108 chemical structure
Primary record

MK-5108

CAS
1010085-13-8
PubChem CID
24748204
SMILES
C1CC(CCC1OC2=C(C(=CC=C2)Cl)F)(CC3=NC(=CC=C3)NC4=NC=CS4)C(=O)O
Molecular Formula
C22H21ClFN3O3S
Molecular Weight
461.946
Exact Mass
461.0976
InChI
InChI=1S/C22H21ClFN3O3S/c23-16-4-2-5-17(19(16)24)30-15-7-9-22(10-8-15,20(28)29)13-14-3-1-6-18(26-14)27-21-25-11-12-31-21/h1-6,11-12,15H,7-10,13H2,(H,28,29)(H,25,26,27)
InChIKey
LCVIRAZGMYMNNT-UHFFFAOYSA-N
LogP
5.7093
TPSA
84.34

Names and synonyms

  • MK-5108
  • 1010085-13-8
  • VX-689
  • MK-5108 (VX-689)
  • MK 5108
  • MK5108
  • C22H21ClFN3O3S
  • D05ZHO
  • D0J6AB
  • VX689
  • VX 689
  • CHEMBL3600873
  • UNII-H8J407531S
  • cc-619
  • MLS006011047
  • GTPL8061
  • orb1689348
  • SCHEMBL1501371
  • SCHEMBL1501374
  • SCHEMBL25756236
  • SCHEMBL29396687
  • EX-A093
  • CHEBI:125340
  • LCVIRAZGMYMNNT-UHFFFAOYSA-N
  • MFCD22124479
  • BDBM109209
  • DTXSID901026054
  • GLXC-90022
  • HMS3656D06
  • H8J407531S