Cobicistat

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 27
Total Number of Articles : 62
PubChem 25151504
Molecular Formula

C40H53N7O5S2

SMILES

CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](CCN2CCOCC2)C(=O)N[C@H](CC[C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)CC5=CC=CC=C5

InChI

InChI=1S/C40H53N7O5S2/c1-29(2)38-43-34(27-53-38)25-46(3)39(49)45-36(16-17-47-18-20-51-21-19-47)37(48)42-32(22-30-10-6-4-7-11-30)14-15-33(23-31-12-8-5-9-13-31)44-40(50)52-26-35-24-41-28-54-35/h4-13,24,27-29,32-33,36H,14-23,25-26H2,1-3H3,(H,42,48)(H,44,50)(H,45,49)/t32-,33-,36+/m1/s1

synonyms
  • Cobicistat
  • 1004316-88-4
  • Cobicistat (GS-9350)
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Properties
Property Value
MW 776.0 g/mol
HBD 3
HBA 10
Rotatable Bond Count 20
Exact Mass 775.35496016 g/mol
Monoisotopic Mass 775.35496016 g/mol
Heavy Atom Count 54
Isotope Atom Count 0
Atom Stereo Count 3
Covalent Unit Count 1
Complexity 1120
xlogp 5.7
Topological Polar Surface Area 195