Bioactive Compound Details

BioIDbio170337
NameSEGESTERONE ACETATE
ChEMBL IDCHEMBL3707377
Molecular FormulaC23H30O4
Molecular Weight370.49
Molecular Weight (Monoisotopic)370.2144
TypeSmall molecule
Max PhasePhase 4
Target IDTar99
Target NameNone
SynonymsELCOMETRINE|NESTORONE|SEGESTERONE ACETATE|ST-1435
SmilesC=C1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)C(C)=O
InchiInChI=1S/C23H30O4/c1-13-11-21-20-7-5-16-12-17(26)6-8-18(16)19(20)9-10-22(21,4)23(13,14(2)24)27-15(3)25/h12,18-21H,1,5-11H2,2-4H3/t18-,19+,20+,21-,22-,23-/m0/s1
Inchi KeyCKFBRGLGTWAVLG-GOMYTPFNSA-N
Molecular SpeciesNEUTRAL
TargetsNone
BioactivitiesNone
Np Likeness Score2.17
Records Key['SEGESTERONE ACETATE', 'SEGESTERONE ACETATE', 'SEGESTERONE ACETATE']
Records Name['SEGESTERONE ACETATE', 'SEGESTERONE ACETATE', 'SEGESTERONE ACETATE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure