Structure

InChI Key WZDGZWOAQTVYBX-XOINTXKNSA-N
Smile C#C[C@]1(O)CC[C@H]2[C@H]3[C@H](CC[C@@]21C)C1=C(CC(=O)CC1)C[C@H]3C
InChI
InChI=1S/C21H28O2/c1-4-21(23)10-8-18-19-13(2)11-14-12-15(22)5-6-16(14)17(19)7-9-20(18,21)3/h1,13,17-19,23H,5-12H2,2-3H3/t13-,17-,18+,19-,20+,21+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H28O2
Molecular Weight 312.45
AlogP 3.88
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 0.0
Polar Surface Area 37.3
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 23.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Menopause 3 D008593 ClinicalTrials
Osteoporosis 3 D010024 ClinicalTrials
Sexual Dysfunction, Physiological 3 D012735 ClinicalTrials
Breast Neoplasms 3 D001943 ClinicalTrials
Depressive Disorder, Major 1 D003865 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 5630-53-5
ChEBI 32223
ChEMBL CHEMBL2103774
DrugBank DB09070
DrugCentral 2655
EPA CompTox DTXSID5023667
FDA SRS FF9X0205V2
Guide to Pharmacology 9711
PubChem 444008
SureChEMBL SCHEMBL41172
ZINC ZINC000003812889