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Name | SMR000063314 |
---|---|
Molecular formula | C23H24N2O6S |
IUPAC name | 2-(1,3-dioxoisoindol-2-yl)ethyl 4-(azepan-1-ylsulfonyl)benzoate |
Molecular weight | 456.513 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 0 |
XlogP | 2.8 |
Synonyms | 562048-09-3 MLS000863972 Z18736269 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)ethyl 4-(azepane-1-sulfonyl)benzoate MCULE-5416840368 [ Show all ] |
Inchi Key | AEVQUNYDBXFHOP-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C23H24N2O6S/c26-21-19-7-3-4-8-20(19)22(27)25(21)15-16-31-23(28)17-9-11-18(12-10-17)32(29,30)24-13-5-1-2-6-14-24/h3-4,7-12H,1-2,5-6,13-16H2 |
PubChem CID | 2096970 |
ChEMBL | CHEMBL1331691 |
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 |
---|---|---|---|---|---|
3890 | Neuropeptide S receptor | Q6W5P4 | NPSR1 | Homo sapiens (Human) | 371 |
3889 | Thyrotropin receptor | P16473 | TSHR | Homo sapiens (Human) | 764 |
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