1-(6-((3-methoxyestra-1,3,5(10)-trien-17-yl)amino)hexyl)-1H-pyrrole-2,5-dione

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 523
Total Number of Articles : 780
PubChem 104794
Molecular Formula

C29H40N2O3

SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2NCCCCCCN4C(=O)C=CC4=O)CCC5=C3C=CC(=C5)OC

InChI

InChI=1S/C29H40N2O3/c1-29-16-15-23-22-10-8-21(34-2)19-20(22)7-9-24(23)25(29)11-12-26(29)30-17-5-3-4-6-18-31-27(32)13-14-28(31)33/h8,10,13-14,19,23-26,30H,3-7,9,11-12,15-18H2,1-2H3/t23-,24-,25+,26+,29+/m1/s1

synonyms
  • 112648-68-7
  • U-73122
  • U73122
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Properties
Property Value
MW 464.6 g/mol
HBD 1
HBA 4
Rotatable Bond Count 9
Exact Mass 464.30389314 g/mol
Monoisotopic Mass 464.30389314 g/mol
Heavy Atom Count 34
Isotope Atom Count 0
Atom Stereo Count 5
Covalent Unit Count 1
Complexity 763
xlogp 4
Topological Polar Surface Area 58.6