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Name | Ko 1313 |
---|---|
Molecular formula | C13H18N2O2 |
IUPAC name | 2-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzonitrile |
Molecular weight | 234.299 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 2 |
XlogP | 1.7 |
Synonyms | 2-Nitrilo-N-isopropyl phenoxypropanolamine BRN 2733067 o-[2-hydroxy-3-(isopropylamino)-propoxy]-benzonitril CTK8I5324 BDBM50421730 [ Show all ] |
Inchi Key | YTTFGUYTPJYRBQ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C13H18N2O2/c1-10(2)15-8-12(16)9-17-13-6-4-3-5-11(13)7-14/h3-6,10,12,15-16H,8-9H2,1-2H3 |
PubChem CID | 38065 |
ChEMBL | CHEMBL1159888 |
IUPHAR | N/A |
BindingDB | 50421730 |
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 |
---|---|---|---|---|---|
419103 | Beta-2 adrenergic receptor | Q28044 | ADRB2 | Bos taurus (Bovine) | 418 |
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