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Name | UNII-65C72P1860 |
---|---|
Molecular formula | C32H48O4 |
IUPAC name | [(8R,9S,13S,14S,17S)-3-heptanoyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] heptanoate |
Molecular weight | 496.732 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 0 |
XlogP | 8.3 |
Synonyms | AC1L4X2Y ZINC31476880 65C72P1860 SCHEMBL4265262 AKOS027382592 [ Show all ] |
Inchi Key | OVAHZPTYWMWNKO-CAHAWPIUSA-N |
Inchi ID | InChI=1S/C32H48O4/c1-4-6-8-10-12-30(33)35-24-15-17-25-23(22-24)14-16-27-26(25)20-21-32(3)28(27)18-19-29(32)36-31(34)13-11-9-7-5-2/h15,17,22,26-29H,4-14,16,18-21H2,1-3H3/t26-,27-,28+,29+,32+/m1/s1 |
PubChem CID | 165688 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | DB13955 |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
550973 | G-protein coupled estrogen receptor 1 | Q99527 | GPER1 | Homo sapiens (Human) | 375 |
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