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Name | BDBM50027090 |
---|---|
Molecular formula | C22H25BrN2O4 |
IUPAC name | 2-bromo-N-[(1R,14R,15R,16S)-11-hydroxy-15-methoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,18-tetraen-16-yl]acetamide |
Molecular weight | 461.356 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 2.2 |
Synonyms | 1N-(11-hydroxy-15-methoxy-3-methyl-13-oxa-3-azahexacyclo[13.2.2.12,8.01,6.06,14.07,12]icosa-7,9,11,18-tetraen-16-yl)-2-bromoacetamide |
Inchi Key | ACZLURNJNGLBMO-PRKPGHIVSA-N |
Inchi ID | InChI=1S/C22H25BrN2O4/c1-25-8-7-21-17-12-3-4-13(26)18(17)29-19(21)22(28-2)6-5-20(21,15(25)9-12)10-14(22)24-16(27)11-23/h3-6,14-15,19,26H,7-11H2,1-2H3,(H,24,27)/t14-,15?,19+,20+,21?,22+/m0/s1 |
PubChem CID | 44286675 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50027090 |
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 |
---|---|---|---|---|---|
2052 | Delta-type opioid receptor | P33533 | Oprd1 | Rattus norvegicus (Rat) | 372 |
2053 | Mu-type opioid receptor | P33535 | Oprm1 | Rattus norvegicus (Rat) | 398 |
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