cenicriviroc

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 24
Total Number of Articles : 48
PubChem 11285792
Molecular Formula

C41H52N4O4S

SMILES

CCCCOCCOC1=CC=C(C=C1)C2=CC/3=C(C=C2)N(CCC/C(=C3)/C(=O)NC4=CC=C(C=C4)[S@@](=O)CC5=CN=CN5CCC)CC(C)C

InChI

InChI=1S/C41H52N4O4S/c1-5-7-22-48-23-24-49-38-15-10-32(11-16-38)33-12-19-40-35(25-33)26-34(9-8-21-44(40)28-31(3)4)41(46)43-36-13-17-39(18-14-36)50(47)29-37-27-42-30-45(37)20-6-2/h10-19,25-27,30-31H,5-9,20-24,28-29H2,1-4H3,(H,43,46)/b34-26+/t50-/m0/s1

synonyms
  • Cenicriviroc
  • 497223-25-3
  • TAK-652
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Properties
Property Value
MW 696.9 g/mol
HBD 1
HBA 7
Rotatable Bond Count 17
Exact Mass 696.37092733 g/mol
Monoisotopic Mass 696.37092733 g/mol
Heavy Atom Count 50
Isotope Atom Count 0
Atom Stereo Count 1
Covalent Unit Count 1
Complexity 1060
xlogp 7.5
Topological Polar Surface Area 105