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Name | CHEMBL317843 |
---|---|
Molecular formula | C38H50N10O6 |
IUPAC name | N-[(5S)-5-[[(2S)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-6-[[1-[(2S)-2-carbamoylpyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-6-oxohexyl]pyridine-2-carboxamide |
Molecular weight | 742.882 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 7 |
XlogP | 1.0 |
Synonyms | N/A |
Inchi Key | AHWPLIOUKUMCQM-IPDPXPSLSA-N |
Inchi ID | InChI=1S/C38H50N10O6/c1-24(49)45-31(23-25-16-17-26-10-2-3-11-27(26)22-25)36(53)46-29(13-5-7-19-43-34(51)28-12-4-6-18-42-28)35(52)47-30(14-8-20-44-38(40)41)37(54)48-21-9-15-32(48)33(39)50/h2-4,6,10-12,16-18,22,29-32H,5,7-9,13-15,19-21,23H2,1H3,(H2,39,50)(H,43,51)(H,45,49)(H,46,53)(H,47,52)(H4,40,41,44)/t29-,30?,31-,32-/m0/s1 |
PubChem CID | 44330385 |
ChEMBL | CHEMBL317843 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
5942 | Gonadotropin-releasing hormone receptor | P30969 | Gnrhr | Rattus norvegicus (Rat) | 327 |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218