avasimibe

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 61
Total Number of Articles : 49
PubChem 166558
Molecular Formula

C29H43NO4S

SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)OS(=O)(=O)NC(=O)CC2=C(C=C(C=C2C(C)C)C(C)C)C(C)C

InChI

InChI=1S/C29H43NO4S/c1-17(2)22-14-25(20(7)8)27(26(15-22)21(9)10)16-28(31)30-35(32,33)34-29-23(18(3)4)12-11-13-24(29)19(5)6/h11-15,17-21H,16H2,1-10H3,(H,30,31)

synonyms
  • Avasimibe
  • 166518-60-1
  • CI-1011
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Properties
Property Value
MW 501.7 g/mol
HBD 1
HBA 4
Rotatable Bond Count 10
Exact Mass 501.29128003 g/mol
Monoisotopic Mass 501.29128003 g/mol
Heavy Atom Count 35
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 734
xlogp 8.2
Topological Polar Surface Area 80.9