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Name | CHEMBL336195 |
---|---|
Molecular formula | C27H39N3O3S |
IUPAC name | 3-amino-1-[(1S,2S,4R)-7,7-dimethyl-1-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylsulfonylmethyl)-2-bicyclo[2.2.1]heptanyl]pyrrolidin-2-one |
Molecular weight | 485.687 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 3.5 |
Synonyms | BDBM50043185 3-amino-1-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4''-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]tetrahydro-1H-2-pyrrolone |
Inchi Key | CXEXWHKSWBBCDW-XPGHFMRJSA-N |
Inchi ID | InChI=1S/C27H39N3O3S/c1-25(2)20-8-11-27(25,23(17-20)30-14-9-22(28)24(30)31)18-34(32,33)29-15-12-26(13-16-29)10-7-19-5-3-4-6-21(19)26/h3-6,20,22-23H,7-18,28H2,1-2H3/t20-,22?,23+,27-/m1/s1 |
PubChem CID | 10480543 |
ChEMBL | CHEMBL336195 |
IUPHAR | N/A |
BindingDB | 50043185 |
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 |
---|---|---|---|---|---|
52720 | Oxytocin receptor | P70536 | Oxtr | Rattus norvegicus (Rat) | 388 |
52719 | Vasopressin V2 receptor | Q00788 | Avpr2 | Rattus norvegicus (Rat) | 371 |
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