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Name | Gestrinone |
---|---|
Molecular formula | C21H24O2 |
IUPAC name | (8S,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one |
Molecular weight | 308.421 |
Hydrogen bond acceptor | 2 |
Hydrogen bond donor | 1 |
XlogP | 2.2 |
Synonyms | (10S,11S,14R,15S)-15-ethyl-14-ethynyl-14-hydroxytetracyclo[8.7.0.0;{2,7}.0;{11,15}]heptadeca-1,6,16-trien-5-one 13-Ethyl-17-hydroxy-18,19-dinor-17alpha-pregna-4,9,11-trien-20-yn-3-one 320G040 BDBM50423515 CS-6362 [ Show all ] |
Inchi Key | BJJXHLWLUDYTGC-ANULTFPQSA-N |
Inchi ID | InChI=1S/C21H24O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,9,11,13,18-19,23H,3,5-8,10,12H2,1H3/t18-,19+,20+,21+/m1/s1 |
PubChem CID | 27812 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | DB11619 |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
548169 | Gonadotropin-releasing hormone receptor | P30968 | GNRHR | Homo sapiens (Human) | 328 |
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