Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN

Structure

InChI Key LYLIIGQPIKTONH-RUZDIDTESA-N
Smile CC(C)(C)n1nnc2c3c(ccc21)C1=CC(=O)CC[C@@]1(CCOc1ccccc1)C3
InChI
InChI=1S/C25H27N3O2/c1-24(2,3)28-22-10-9-19-20(23(22)26-27-28)16-25(12-11-17(29)15-21(19)25)13-14-30-18-7-5-4-6-8-18/h4-10,15H,11-14,16H2,1-3H3/t25-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H27N3O2
Molecular Weight 401.51
AlogP 4.94
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 57.01
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 30.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Estrogen receptor agonist Other

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3545274
ZINC ZINC000299853518