onapristone

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 60
Total Number of Articles : 63
PubChem 5311505
Molecular Formula

C29H39NO3

SMILES

C[C@@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(CCCO)O)C5=CC=C(C=C5)N(C)C

InChI

InChI=1S/C29H39NO3/c1-28-18-25(19-5-8-21(9-6-19)30(2)3)27-23-12-10-22(32)17-20(23)7-11-24(27)26(28)13-15-29(28,33)14-4-16-31/h5-6,8-9,17,24-26,31,33H,4,7,10-16,18H2,1-3H3/t24-,25+,26-,28+,29+/m0/s1

synonyms
  • Onapristone
  • 96346-61-1
  • Onapristone [INN]
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Properties
Property Value
MW 449.6 g/mol
HBD 2
HBA 4
Rotatable Bond Count 5
Exact Mass 449.29299411 g/mol
Monoisotopic Mass 449.29299411 g/mol
Heavy Atom Count 33
Isotope Atom Count 0
Atom Stereo Count 5
Covalent Unit Count 1
Complexity 836
xlogp 3.2
Topological Polar Surface Area 60.8