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Name | CHEMBL1178761 |
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Molecular formula | C9H20N2O2 |
IUPAC name | 1-(tert-butylamino)-3-[(E)-ethylideneamino]oxypropan-2-ol |
Molecular weight | 188.271 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 2 |
XlogP | 0.2 |
Synonyms | Acetaldehyde O-(3-tert-butylamino-2-hydroxy-propyl)-oxime; compound with (E)-but-2-enedioic acid BDBM50036838 |
Inchi Key | SPGPSXZIZLOIOC-VZUCSPMQSA-N |
Inchi ID | InChI=1S/C9H20N2O2/c1-5-11-13-7-8(12)6-10-9(2,3)4/h5,8,10,12H,6-7H2,1-4H3/b11-5+ |
PubChem CID | 10375227 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50036838 |
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 |
---|---|---|---|---|---|
319902 | Beta-1 adrenergic receptor | P18090 | Adrb1 | Rattus norvegicus (Rat) | 466 |
319901 | Beta-2 adrenergic receptor | Q8K4Z4 | Adrb2 | Cavia porcellus (Guinea pig) | 418 |
319903 | Beta-2 adrenergic receptor | Q28044 | ADRB2 | Bos taurus (Bovine) | 418 |
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