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Name | Toliprolol |
---|---|
Molecular formula | C13H21NO2 |
IUPAC name | 1-(3-methylphenoxy)-3-(propan-2-ylamino)propan-2-ol |
Molecular weight | 223.316 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 2 |
XlogP | 1.9 |
Synonyms | 2-Propanol, 1-[(1-methylethyl)amino]-3-(3-methylphenoxy)- EINECS 220-905-6 KO-592 [As Hydrochloride] 1-(3'-methyl-phenoxy)-3-(iso-propylamino)-2-propanol 1-(Isopropylamino)-3-(3-methylphenoxy)-2-propanol # [ Show all ] |
Inchi Key | NXQMNKUGGYNLBY-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C13H21NO2/c1-10(2)14-8-12(15)9-16-13-6-4-5-11(3)7-13/h4-7,10,12,14-15H,8-9H2,1-3H3 |
PubChem CID | 18047 |
ChEMBL | CHEMBL67096 |
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 |
---|---|---|---|---|---|
234591 | Beta-2 adrenergic receptor | Q28044 | ADRB2 | Bos taurus (Bovine) | 418 |
234592 | Beta-2 adrenergic receptor | P07550 | ADRB2 | Homo sapiens (Human) | 413 |
234593 | Beta-2 adrenergic receptor | Q8K4Z4 | Adrb2 | Cavia porcellus (Guinea pig) | 418 |
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