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Name | SMR000065253 |
---|---|
Molecular formula | C21H20N4O3S |
IUPAC name | 1-[2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]pyrrolidin-2-one |
Molecular weight | 408.476 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 0 |
XlogP | 2.9 |
Synonyms | 869354-88-1 MLS002632929 Z19980542 1-(2-{[5-(3-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)pyrrolidin-2-one MCULE-2724297450 [ Show all ] |
Inchi Key | AEWXILWUDOSDTG-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C21H20N4O3S/c1-28-17-10-5-7-15(13-17)20-22-23-21(25(20)16-8-3-2-4-9-16)29-14-19(27)24-12-6-11-18(24)26/h2-5,7-10,13H,6,11-12,14H2,1H3 |
PubChem CID | 2546429 |
ChEMBL | CHEMBL1607966 |
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 |
---|---|---|---|---|---|
3924 | Thyrotropin receptor | P16473 | TSHR | Homo sapiens (Human) | 764 |
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