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Name | CHEMBL143944 |
---|---|
Molecular formula | C21H24FN3O3S |
IUPAC name | 7-[3-[4-(4-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]-4H-1,4-benzothiazin-3-one |
Molecular weight | 417.499 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 2 |
XlogP | 2.5 |
Synonyms | 7-{3-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-2-hydroxy-propoxy}-4H-benzo[1,4]thiazin-3-one BDBM50086665 7-[2-Hydroxy-3-[4-(4-fluorophenyl)piperazino]propoxy]-3,4-dihydro-2H-1,4-benzothiazine-3-one |
Inchi Key | ASDLXXUOHBNMMC-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C21H24FN3O3S/c22-15-1-3-16(4-2-15)25-9-7-24(8-10-25)12-17(26)13-28-18-5-6-19-20(11-18)29-14-21(27)23-19/h1-6,11,17,26H,7-10,12-14H2,(H,23,27) |
PubChem CID | 44361776 |
ChEMBL | CHEMBL143944 |
IUPHAR | N/A |
BindingDB | 50086665 |
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 |
---|---|---|---|---|---|
13029 | Beta-1 adrenergic receptor | P18090 | Adrb1 | Rattus norvegicus (Rat) | 466 |
13030 | Beta-2 adrenergic receptor | P54833 | ADRB2 | Canis lupus familiaris (Dog) | 415 |
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