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Name | CID 10415322 |
---|---|
Molecular formula | C29H40N4O5S |
IUPAC name | 3-[1-[(1S,2S,4R)-7,7-dimethyl-1-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylsulfonylmethyl)-2-bicyclo[2.2.1]heptanyl]-2,5-dioxoimidazolidin-4-yl]propanamide |
Molecular weight | 556.722 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 2.9 |
Synonyms | N/A |
Inchi Key | CIAAPGAYGUUMOS-CEBNGQAMSA-N |
Inchi ID | InChI=1S/C29H40N4O5S/c1-27(2)20-10-12-29(27,23(17-20)33-25(35)22(31-26(33)36)7-8-24(30)34)18-39(37,38)32-15-13-28(14-16-32)11-9-19-5-3-4-6-21(19)28/h3-6,20,22-23H,7-18H2,1-2H3,(H2,30,34)(H,31,36)/t20-,22?,23+,29-/m1/s1 |
PubChem CID | 10415322 |
ChEMBL | CHEMBL433662 |
IUPHAR | N/A |
BindingDB | N/A |
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 |
---|---|---|---|---|---|
42484 | Oxytocin receptor | P70536 | Oxtr | Rattus norvegicus (Rat) | 388 |
42485 | Vasopressin V2 receptor | Q00788 | Avpr2 | Rattus norvegicus (Rat) | 371 |
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