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Name | CHEMBL3144569 |
---|---|
Molecular formula | C40H43Cl2N7O6 |
IUPAC name | 2,2-diphenylethyl (2S)-2-[[(2S)-1-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methylamino]-3-(2,3-dihydro-1H-imidazol-4-yl)-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate |
Molecular weight | 788.727 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 4 |
XlogP | 5.1 |
Synonyms | BDBM50228319 |
Inchi Key | BCSIYDBZSNGYAC-IAKKGAPTSA-N |
Inchi ID | InChI=1S/C40H43Cl2N7O6/c41-29-13-14-33(34(42)18-29)40(24-48-17-15-43-26-48)54-22-31(55-40)21-45-37(50)35(19-30-20-44-25-46-30)47-38(51)36-12-7-16-49(36)39(52)53-23-32(27-8-3-1-4-9-27)28-10-5-2-6-11-28/h1-6,8-11,13-15,17-18,20,26,31-32,35-36,44,46H,7,12,16,19,21-25H2,(H,45,50)(H,47,51)/t31-,35-,36-,40-/m0/s1 |
PubChem CID | 90663998 |
ChEMBL | CHEMBL3144569 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
20470 | Gonadotropin-releasing hormone receptor | P30969 | Gnrhr | Rattus norvegicus (Rat) | 327 |
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