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Name | BDBM81890 |
---|---|
Molecular formula | C40H53N9O6 |
IUPAC name | 1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-N-[1-[[1-[2-formyl-2-(piperidine-1-carbonyl)piperidin-1-yl]-3-methyl-1-oxopent-4-en-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide |
Molecular weight | 755.921 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 5 |
XlogP | 2.1 |
Synonyms | NSC_196819 CAS_196819 |
Inchi Key | QHUGACUEEILSLD-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C40H53N9O6/c1-3-26(2)34(38(54)49-19-10-7-15-40(49,24-50)39(55)47-16-8-4-9-17-47)46-35(51)32(20-27-22-43-31-13-6-5-12-29(27)31)45-36(52)33-14-11-18-48(33)37(53)30(41)21-28-23-42-25-44-28/h3,5-6,12-13,22-26,30,32-34,43H,1,4,7-11,14-21,41H2,2H3,(H,42,44)(H,45,52)(H,46,51) |
PubChem CID | 53463811 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 81890 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
278682 | Oxytocin receptor | P70536 | Oxtr | Rattus norvegicus (Rat) | 388 |
278684 | Oxytocin receptor | P56494 | OXTR | Macaca mulatta (Rhesus macaque) | 389 |
278685 | Oxytocin receptor | P30559 | OXTR | Homo sapiens (Human) | 389 |
278683 | Vasopressin V2 receptor | Q00788 | Avpr2 | Rattus norvegicus (Rat) | 371 |
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