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Name | CHEMBL322842 |
---|---|
Molecular formula | C13H19NO3 |
IUPAC name | 1-[(propan-2-ylamino)methyl]-3,4-dihydro-1H-isochromene-6,7-diol |
Molecular weight | 237.299 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 3 |
XlogP | 1.3 |
Synonyms | BDBM50041915 1-[(Isopropylamino)methyl]-3,4-dihydro-1H-2-benzopyran-6,7-diol 1-(Isopropylamino-methyl)-isochroman-6,7-diol |
Inchi Key | CFNFHYLQNWHIIW-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C13H19NO3/c1-8(2)14-7-13-10-6-12(16)11(15)5-9(10)3-4-17-13/h5-6,8,13-16H,3-4,7H2,1-2H3 |
PubChem CID | 12828562 |
ChEMBL | CHEMBL322842 |
IUPHAR | N/A |
BindingDB | 50041915 |
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 |
---|---|---|---|---|---|
40792 | Beta-1 adrenergic receptor | P18090 | Adrb1 | Rattus norvegicus (Rat) | 466 |
40793 | Beta-2 adrenergic receptor | Q28044 | ADRB2 | Bos taurus (Bovine) | 418 |
40794 | Beta-2 adrenergic receptor | Q8K4Z4 | Adrb2 | Cavia porcellus (Guinea pig) | 418 |
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