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Name | MLS000072765 |
---|---|
Molecular formula | C23H26N4O4S |
IUPAC name | 7-(2-hydroxy-3-naphthalen-1-yloxypropyl)-3-methyl-8-(2-methylpropylsulfanyl)purine-2,6-dione |
Molecular weight | 454.545 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 3.8 |
Synonyms | 7-[2-hydroxy-3-(1-naphthalenyloxy)propyl]-3-methyl-8-(2-methylpropylthio)purine-2,6-dione BDBM48317 MolPort-001-955-213 7-[2-hydroxy-3-(naphthalen-1-yloxy)propyl]-3-methyl-8-[(2-methylpropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione cid_655809 [ Show all ] |
Inchi Key | AEZZDPHKXMCIQN-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C23H26N4O4S/c1-14(2)13-32-23-24-20-19(21(29)25-22(30)26(20)3)27(23)11-16(28)12-31-18-10-6-8-15-7-4-5-9-17(15)18/h4-10,14,16,28H,11-13H2,1-3H3,(H,25,29,30) |
PubChem CID | 655809 |
ChEMBL | CHEMBL1299291 |
IUPHAR | N/A |
BindingDB | N/A |
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 |
---|---|---|---|---|---|
3982 | Neuropeptide S receptor | Q6W5P4 | NPSR1 | Homo sapiens (Human) | 371 |
3983 | Thyrotropin receptor | P16473 | TSHR | Homo sapiens (Human) | 764 |
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