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Name | ASN 03068560 |
---|---|
Molecular formula | C19H19N5O2S2 |
IUPAC name | N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide |
Molecular weight | 413.514 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 3.7 |
Synonyms | MLS000071661 AKOS000722255 N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CHEMBL1409015 ZINC933566 [ Show all ] |
Inchi Key | AFFUAIKUDDBWGR-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C19H19N5O2S2/c1-12-13(2)28-18(15(12)9-20)21-17(25)11-27-19-23-22-16(24(19)3)10-26-14-7-5-4-6-8-14/h4-8H,10-11H2,1-3H3,(H,21,25) |
PubChem CID | 649323 |
ChEMBL | CHEMBL1409015 |
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 |
---|---|---|---|---|---|
4132 | Thyrotropin receptor | P16473 | TSHR | Homo sapiens (Human) | 764 |
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