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Name | 88430-50-6 |
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Molecular formula | C24H30O5 |
IUPAC name | 4-[2-hydroxy-1-(3-hydroxy-4-methyloct-1-en-6-ynyl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]butanoic acid |
Molecular weight | 398.499 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 3 |
XlogP | 3.2 |
Synonyms | ACMC-20l9ma 1H-Cyclopenta[b]benzofuran-5-butanoicacid, 2,3,3a,8b-tetrahydro-2-hydroxy-1-(3-hydroxy-4-methyl-1-octen-6-yn-1-yl)- CTK3E8825 4-[2-hydroxy-1-(3-hydroxy-4-methyloct-1-en-6-ynyl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]butanoic acid AC1L1DHL [ Show all ] |
Inchi Key | CTPOHARTNNSRSR-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C24H30O5/c1-3-4-7-15(2)19(25)13-12-17-20(26)14-21-23(17)18-10-5-8-16(24(18)29-21)9-6-11-22(27)28/h5,8,10,12-13,15,17,19-21,23,25-26H,6-7,9,11,14H2,1-2H3,(H,27,28) |
PubChem CID | 2352 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 85181 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
555665 | Prostaglandin E2 receptor EP3 subtype | P30557 | Ptger3 | Mus musculus (Mouse) | 365 |
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