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Name | BU-47 |
---|---|
Molecular formula | C26H31NO4 |
IUPAC name | (1R,2S,6R,14R,19S)-5-(cyclopropylmethyl)-15-methoxy-13-oxa-5-azaheptacyclo[13.5.2.12,8.01,6.02,14.016,20.012,23]tricosa-8(23),9,11,21-tetraene-11,19-diol |
Molecular weight | 421.537 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 2.8 |
Synonyms | BU 47 BDBM85539 |
Inchi Key | DKJLFLVTHYALFV-ADFNVXPWSA-N |
Inchi ID | InChI=1S/C26H31NO4/c1-30-26-9-8-24(21-16(26)5-7-17(21)28)19-12-15-4-6-18(29)22-20(15)25(24,23(26)31-22)10-11-27(19)13-14-2-3-14/h4,6,8-9,14,16-17,19,21,23,28-29H,2-3,5,7,10-13H2,1H3/t16?,17-,19+,21?,23+,24+,25-,26?/m0/s1 |
PubChem CID | 57340164 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 85539 |
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 |
---|---|---|---|---|---|
62337 | Delta-type opioid receptor | P32300 | Oprd1 | Mus musculus (Mouse) | 372 |
62336 | Kappa-type opioid receptor | P33534 | Oprk1 | Mus musculus (Mouse) | 380 |
62335 | Mu-type opioid receptor | P42866 | Oprm1 | Mus musculus (Mouse) | 398 |
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