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Name | CHEMBL291100 |
---|---|
Molecular formula | C19H23NO2S |
IUPAC name | (1S,10S)-15-tert-butyl-16-thia-11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17),14-pentaene-4,5-diol |
Molecular weight | 329.458 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 3 |
XlogP | 3.9 |
Synonyms | 2-tert-Butyl-4,5,5aalpha,6,7,11bbeta-hexahydro-1-thia-5-aza-1H-cyclopenta[c]phenanthrene-9,10-diol (5aS,11bS)-2-tert-Butyl-4,5,5a,6,7,11b-hexahydro-1-thia-5-aza-cyclopenta[c]phenanthrene-9,10-diol BDBM50057852 SCHEMBL7013409 |
Inchi Key | FZGYMZTVBMODJR-GUYCJALGSA-N |
Inchi ID | InChI=1S/C19H23NO2S/c1-19(2,3)16-7-11-9-20-13-5-4-10-6-14(21)15(22)8-12(10)17(13)18(11)23-16/h6-8,13,17,20-22H,4-5,9H2,1-3H3/t13-,17-/m0/s1 |
PubChem CID | 10758744 |
ChEMBL | CHEMBL291100 |
IUPHAR | N/A |
BindingDB | 50057852 |
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 |
---|---|---|---|---|---|
90910 | D(1) dopamine receptor | P35406 | Carassius auratus (Goldfish) | 363 | |
90911 | D(1A) dopamine receptor | P18901 | Drd1 | Rattus norvegicus (Rat) | 446 |
90909 | D(2) dopamine receptor | P61169 | Drd2 | Rattus norvegicus (Rat) | 444 |
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