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Name | CHEMBL326456 |
---|---|
Molecular formula | C26H30ClN3O3 |
IUPAC name | N-[3-(azepan-1-yl)propyl]-N-(1,3-benzodioxol-5-ylmethyl)-3-(4-chlorophenyl)-1,2-oxazol-5-amine |
Molecular weight | 467.994 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 0 |
XlogP | 6.0 |
Synonyms | BDBM50109082 N-[3-(Hexahydro-1H-azepine-1-yl)propyl]-N-(1,3-benzodioxole-5-ylmethyl)-3-(4-chlorophenyl)isoxazole-5-amine (3-Azepan-1-yl-propyl)-benzo[1,3]dioxol-5-ylmethyl-[3-(4-chloro-phenyl)-isoxazol-5-yl]-amine |
Inchi Key | BGBCDCFUTSISNI-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C26H30ClN3O3/c27-22-9-7-21(8-10-22)23-17-26(33-28-23)30(15-5-14-29-12-3-1-2-4-13-29)18-20-6-11-24-25(16-20)32-19-31-24/h6-11,16-17H,1-5,12-15,18-19H2 |
PubChem CID | 12018759 |
ChEMBL | CHEMBL326456 |
IUPHAR | N/A |
BindingDB | 50109082 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
22816 | Proteinase-activated receptor 1 | P25116 | F2R | Homo sapiens (Human) | 425 |
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