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Name | MLS-0437226.0001 |
---|---|
Molecular formula | C19H26N4OS |
IUPAC name | 2-methyl-1-[4-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one |
Molecular weight | 358.504 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 0 |
XlogP | 4.0 |
Synonyms | 2-methyl-1-[4-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-1-piperazinyl]-1-propanone ZINC14114186 2-methyl-1-[4-(2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)piperazino]-1-propanone MCULE-5927659093 AKOS021878853 [ Show all ] |
Inchi Key | CDFBPUHOZFSRSQ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C19H26N4OS/c1-12(2)19(24)23-10-8-22(9-11-23)17-16-14-6-4-5-7-15(14)25-18(16)21-13(3)20-17/h12H,4-11H2,1-3H3 |
PubChem CID | 17446092 |
ChEMBL | CHEMBL1710129 |
IUPHAR | N/A |
BindingDB | 76091 |
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 |
---|---|---|---|---|---|
39227 | Cannabinoid receptor 1 | P21554 | CNR1 | Homo sapiens (Human) | 472 |
39228 | Cannabinoid receptor 2 | P34972 | CNR2 | Homo sapiens (Human) | 360 |
39229 | G-protein coupled receptor 35 | Q9HC97 | GPR35 | Homo sapiens (Human) | 309 |
39230 | G-protein coupled receptor 55 | Q9Y2T6 | GPR55 | Homo sapiens (Human) | 319 |
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