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Name | CHEMBL522142 |
---|---|
Molecular formula | C30H33FN2O4 |
IUPAC name | (E)-N-[(4R,4aS,7R,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]-3-(3-fluorophenyl)-N-methylprop-2-enamide |
Molecular weight | 504.602 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 2.0 |
Synonyms | (2E)-N-[(5R,6R)-17-(Cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxymorphinan-6-yl]-3-(3-fluorophenyl)-N-methylprop-2-enamide BDBM50274213 |
Inchi Key | BRCVIAIMZSNCOG-DHGWECEMSA-N |
Inchi ID | InChI=1S/C30H33FN2O4/c1-32(25(35)10-7-18-3-2-4-21(31)15-18)22-11-12-30(36)24-16-20-8-9-23(34)27-26(20)29(30,28(22)37-27)13-14-33(24)17-19-5-6-19/h2-4,7-10,15,19,22,24,28,34,36H,5-6,11-14,16-17H2,1H3/b10-7+/t22-,24-,28+,29+,30-/m1/s1 |
PubChem CID | 44588724 |
ChEMBL | CHEMBL522142 |
IUPHAR | N/A |
BindingDB | 50274213 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
30887 | Delta-type opioid receptor | P32300 | Oprd1 | Mus musculus (Mouse) | 372 |
30888 | Kappa-type opioid receptor | P33534 | Oprk1 | Mus musculus (Mouse) | 380 |
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