Brief Information of the Compound and Protein
Compound Name
 Compound Info 
5S-(-)-[4-(2-azepan-1-ylethoxy)phenyl]-11,12-dihydro-5H-6,13-dioxabenzo[3,4]cyclohepta[1,2-a]naphthalen-2-ol
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 PubChem ID
CID: 44596992
SID: 87329347
Canonical SMILES
Oc1ccc2C3=C(CCOc2c1)c1ccccc1O[C@H]3c1ccc(OCCN2CCCCCC2)cc1
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Compound Formula C31H33NO4
Compound Structure
Protein Name
 Protein Info 
Estrogen receptor
Protein Classification
Transcription factor
>
Nuclear receptor
>
Nuclear hormone receptor subfamily 3
>
Nuclear hormone receptor subfamily 3 group A
>
Nuclear hormone receptor subfamily 3 group A member 1
Uniprot ID
P03372
Gene Name
ESR1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000211 Ishikawa
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 68 nM
   TI
   LI
   LO
   TS
CL000083 MCF-7
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 1920 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 4.5 nM