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Name | N-(1,1-dimethylpropyl)-5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-2-methoxybenzenesulfonamide |
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Molecular formula | C20H23N3O5S |
IUPAC name | 5-[(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)methyl]-2-methoxy-N-(2-methylbutan-2-yl)benzenesulfonamide |
Molecular weight | 417.48 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 2.1 |
Synonyms | ZINC6998423 MCULE-9189703861 AB00827092-06 CHEMBL1456385 MLS001199843 [ Show all ] |
Inchi Key | GWHRUBCOXYRRIM-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C20H23N3O5S/c1-5-20(2,3)22-29(26,27)16-11-13(8-9-15(16)28-4)12-23-18(24)14-7-6-10-21-17(14)19(23)25/h6-11,22H,5,12H2,1-4H3 |
PubChem CID | 20923165 |
ChEMBL | CHEMBL1456385 |
IUPHAR | N/A |
BindingDB | N/A |
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 |
---|---|---|---|---|---|
476121 | Parathyroid hormone/parathyroid hormone-related peptide receptor | Q03431 | PTH1R | Homo sapiens (Human) | 593 |
106925 | Relaxin receptor 1 | Q9HBX9 | RXFP1 | Homo sapiens (Human) | 757 |
106927 | Relaxin receptor 2 | Q8WXD0 | RXFP2 | Homo sapiens (Human) | 754 |
106926 | Vasopressin V1b receptor | P47901 | AVPR1B | Homo sapiens (Human) | 424 |
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