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Name | MLS000037230 |
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Molecular formula | C16H16N2O5S2 |
IUPAC name | N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide |
Molecular weight | 380.433 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 1.2 |
Synonyms | 2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-{2-[(furan-2-ylmethyl)sulfanyl]ethyl}acetamide CHEMBL1347805 N-[2-(2-furfurylthio)ethyl]-2-(1,1,3-triketo-1,2-benzothiazol-2-yl)acetamide STK946782 AH-487/42142711 [ Show all ] |
Inchi Key | AEGKXBLYXZRJOF-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C16H16N2O5S2/c19-15(17-7-9-24-11-12-4-3-8-23-12)10-18-16(20)13-5-1-2-6-14(13)25(18,21)22/h1-6,8H,7,9-11H2,(H,17,19) |
PubChem CID | 662420 |
ChEMBL | CHEMBL1347805 |
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 |
---|---|---|---|---|---|
463302 | Parathyroid hormone/parathyroid hormone-related peptide receptor | Q03431 | PTH1R | Homo sapiens (Human) | 593 |
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