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Name | BDBM50088375 |
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Molecular formula | C30H37N2O2+ |
IUPAC name | N-methyl-2,3-diphenyl-N-[(5R,7S,8S)-7-pyrrolidin-1-ium-1-yl-1-oxaspiro[4.5]decan-8-yl]cycloprop-2-ene-1-carboxamide |
Molecular weight | 457.638 |
Hydrogen bond acceptor | 2 |
Hydrogen bond donor | 1 |
XlogP | 4.3 |
Synonyms | 1-{8-[(2,3-Diphenyl-cycloprop-2-enecarbonyl)-methyl-amino]-1-oxa-spiro[4.5]dec-7-yl}-pyrrolidinium |
Inchi Key | DVBJTNONUUBBIZ-QRQMUESOSA-O |
Inchi ID | InChI=1S/C30H36N2O2/c1-31(24-15-17-30(16-10-20-34-30)21-25(24)32-18-8-9-19-32)29(33)28-26(22-11-4-2-5-12-22)27(28)23-13-6-3-7-14-23/h2-7,11-14,24-25,28H,8-10,15-21H2,1H3/p+1/t24-,25-,30-/m0/s1 |
PubChem CID | 44307889 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50088375 |
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 |
---|---|---|---|---|---|
69769 | Kappa-type opioid receptor | P34975 | Oprk1 | Rattus norvegicus (Rat) | 380 |
69771 | Kappa-type opioid receptor | P41145 | OPRK1 | Homo sapiens (Human) | 380 |
69770 | Mu-type opioid receptor | P33535 | Oprm1 | Rattus norvegicus (Rat) | 398 |
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