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Name | MLS000037786 |
---|---|
Molecular formula | C19H14N2O3S |
IUPAC name | methyl 2-[3-cyano-4-(furan-2-yl)-6-phenylpyridin-2-yl]sulfanylacetate |
Molecular weight | 350.392 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 0 |
XlogP | 3.7 |
Synonyms | 2-[[3-cyano-4-(2-furyl)-6-phenyl-2-pyridyl]thio]acetic acid methyl ester HMS2381F19 Oprea1_468742 AKOS022113688 methyl 2-[3-cyano-4-(furan-2-yl)-6-phenylpyridin-2-yl]sulfanylacetate [ Show all ] |
Inchi Key | ACIZZXXGRGTORB-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C19H14N2O3S/c1-23-18(22)12-25-19-15(11-20)14(17-8-5-9-24-17)10-16(21-19)13-6-3-2-4-7-13/h2-10H,12H2,1H3 |
PubChem CID | 658573 |
ChEMBL | CHEMBL1583671 |
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 |
---|---|---|---|---|---|
1619 | Neuropeptide S receptor | Q6W5P4 | NPSR1 | Homo sapiens (Human) | 371 |
1618 | Thyrotropin receptor | P16473 | TSHR | Homo sapiens (Human) | 764 |
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