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Name | CHEMBL275025 |
---|---|
Molecular formula | C22H24Cl2N2O |
IUPAC name | 2-(3,4-dichlorophenyl)-1-[1-(pyrrolidin-1-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone |
Molecular weight | 403.347 |
Hydrogen bond acceptor | 2 |
Hydrogen bond donor | 0 |
XlogP | 4.7 |
Synonyms | 2-(3,4-Dichloro-phenyl)-1-(1-pyrrolidin-1-ylmethyl-3,4-dihydro-1H-isoquinolin-2-yl)-ethanone 2-(3,4-Dichloro-phenyl)-1-(1-pyrrolidin-1-ylmethyl-3,4-dihydro-1H-isoquinolin-2-yl)-ethanone;C4H6O6 BDBM50001108 1,2,3,4-Tetrahydro-2-[(3,4-dichlorophenyl)acetyl]-1-[(1-pyrrolidinyl)methyl]isoquinoline SCHEMBL9699133 [ Show all ] |
Inchi Key | ATTHVGBIVYJECI-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H24Cl2N2O/c23-19-8-7-16(13-20(19)24)14-22(27)26-12-9-17-5-1-2-6-18(17)21(26)15-25-10-3-4-11-25/h1-2,5-8,13,21H,3-4,9-12,14-15H2 |
PubChem CID | 14726012 |
ChEMBL | CHEMBL275025 |
IUPHAR | N/A |
BindingDB | 50001108 |
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 |
---|---|---|---|---|---|
14312 | Delta-type opioid receptor | P41143 | OPRD1 | Homo sapiens (Human) | 372 |
14313 | Kappa-type opioid receptor | P41144 | OPRK1 | Cavia porcellus (Guinea pig) | 380 |
14311 | Mu-type opioid receptor | P97266 | OPRM1 | Cavia porcellus (Guinea pig) | 98 |
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