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Name | MLS000073232 |
---|---|
Molecular formula | C18H25N3O3S |
IUPAC name | 1-(2,5-dimethoxyphenyl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanone |
Molecular weight | 363.476 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 0 |
XlogP | 3.6 |
Synonyms | AKOS000693449 SMR000005938 1-(2,5-Dimethoxy-phenyl)-2-(5-isopropyl-4-propyl-4H-[1,2,4]triazol-3-ylsulfanyl)-ethanone 1-(2,5-dimethoxyphenyl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)thio]ethanone HMS2335F03 [ Show all ] |
Inchi Key | AENUORICOLJQPZ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C18H25N3O3S/c1-6-9-21-17(12(2)3)19-20-18(21)25-11-15(22)14-10-13(23-4)7-8-16(14)24-5/h7-8,10,12H,6,9,11H2,1-5H3 |
PubChem CID | 654177 |
ChEMBL | CHEMBL1603183 |
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 |
---|---|---|---|---|---|
3664 | Neuropeptide S receptor | Q6W5P4 | NPSR1 | Homo sapiens (Human) | 371 |
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