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Ligand

Nameestradiol cypionate
Molecular formulaC26H36O3
IUPAC name[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 3-cyclopentylpropanoate
Molecular weight396.571
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP7.1
SynonymsDSSTox_GSID_22999
EINECS 206-237-8
Estradep
Estradiol 17.beta.-cyclopentylpropionate
(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-yl 3-cyclopentylpropanoate
[ Show all ]
Inchi KeyUOACKFBJUYNSLK-XRKIENNPSA-N
Inchi IDInChI=1S/C26H36O3/c1-26-15-14-21-20-10-8-19(27)16-18(20)7-9-22(21)23(26)11-12-24(26)29-25(28)13-6-17-4-2-3-5-17/h8,10,16-17,21-24,27H,2-7,9,11-15H2,1H3/t21-,22-,23+,24+,26+/m1/s1
PubChem CID9403
ChEMBLN/A
IUPHARN/A
BindingDBN/A
DrugBankDB13954

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
552153G-protein coupled estrogen receptor 1Q99527GPER1Homo sapiens (Human)375

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