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Name | CHEMBL2419124 |
---|---|
Molecular formula | C30H30ClN3O4 |
IUPAC name | N-[(4R,4aS,7S,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]-1-chloroisoquinoline-3-carboxamide |
Molecular weight | 532.037 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 3 |
XlogP | 2.8 |
Synonyms | BDBM50066285 SCHEMBL16293634 |
Inchi Key | AVWCTYGZQSFPNB-XKXSCJQESA-N |
Inchi ID | InChI=1S/C30H30ClN3O4/c31-27-19-4-2-1-3-17(19)13-21(32-27)28(36)33-20-9-10-30(37)23-14-18-7-8-22(35)25-24(18)29(30,26(20)38-25)11-12-34(23)15-16-5-6-16/h1-4,7-8,13,16,20,23,26,35,37H,5-6,9-12,14-15H2,(H,33,36)/t20-,23+,26-,29-,30+/m0/s1 |
PubChem CID | 72164179 |
ChEMBL | CHEMBL2419124 |
IUPHAR | N/A |
BindingDB | 50066285 |
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 |
---|---|---|---|---|---|
15706 | Delta-type opioid receptor | P32300 | Oprd1 | Mus musculus (Mouse) | 372 |
15708 | Kappa-type opioid receptor | P33534 | Oprk1 | Mus musculus (Mouse) | 380 |
15707 | Mu-type opioid receptor | P42866 | Oprm1 | Mus musculus (Mouse) | 398 |
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