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Name | 1-{2-(ethylsulfonyl)-4-[(4-methylphenyl)sulfonyl]-1,3-thiazol-5-yl}-4-methylpiperazine |
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Molecular formula | C17H23N3O4S3 |
IUPAC name | 2-ethylsulfonyl-4-(4-methylphenyl)sulfonyl-5-(4-methylpiperazin-1-yl)-1,3-thiazole |
Molecular weight | 429.568 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 0 |
XlogP | 2.7 |
Synonyms | AKOS001865992 SMR000624786 CHEMBL1507635 ZINC15943682 2-(ethylsulfonyl)-4-[(4-methylphenyl)sulfonyl]-5-(4-methylpiperazinyl)-1,3-thi azole [ Show all ] |
Inchi Key | FPPNKYPBPBIYNN-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C17H23N3O4S3/c1-4-26(21,22)17-18-15(16(25-17)20-11-9-19(3)10-12-20)27(23,24)14-7-5-13(2)6-8-14/h5-8H,4,9-12H2,1-3H3 |
PubChem CID | 20888750 |
ChEMBL | CHEMBL1507635 |
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 |
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84223 | Relaxin receptor 1 | Q9HBX9 | RXFP1 | Homo sapiens (Human) | 757 |
84224 | Relaxin receptor 2 | Q8WXD0 | RXFP2 | Homo sapiens (Human) | 754 |
84225 | Vasopressin V1b receptor | P47901 | AVPR1B | Homo sapiens (Human) | 424 |
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