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Name | N-CPM-CACO |
---|---|
Molecular formula | C30H31N3O6 |
IUPAC name | (Z)-N-[(7aR)-3-(cyclopropylmethyl)-9-methoxy-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl]-3-(4-nitrophenyl)prop-2-enamide |
Molecular weight | 529.593 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 4.2 |
Synonyms | BDBM85394 |
Inchi Key | HIVXXDSZTCJSFW-IWRUZLQFSA-N |
Inchi ID | InChI=1S/C30H31N3O6/c1-38-23-10-7-20-16-24-30(31-25(35)11-6-18-4-8-21(9-5-18)33(36)37)13-12-22(34)28-29(30,26(20)27(23)39-28)14-15-32(24)17-19-2-3-19/h4-11,19,24,28H,2-3,12-17H2,1H3,(H,31,35)/b11-6-/t24?,28-,29?,30?/m0/s1 |
PubChem CID | 57340106 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 85394 |
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 |
---|---|---|---|---|---|
116076 | Kappa-type opioid receptor | Q2KIP6 | OPRK1 | Bos taurus (Bovine) | 380 |
116075 | Mu-type opioid receptor | P79350 | OPRM1 | Bos taurus (Bovine) | 401 |
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