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Name | SMR000624799 |
---|---|
Molecular formula | C17H22ClN3O5S3 |
IUPAC name | 2-[4-[4-(4-chlorophenyl)sulfonyl-2-ethylsulfonyl-1,3-thiazol-5-yl]piperazin-1-yl]ethanol |
Molecular weight | 480.009 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 1 |
XlogP | 2.2 |
Synonyms | 2-(4-{4-[(4-chlorophenyl)sulfonyl]-2-(ethylsulfonyl)-1,3-thiazol-5-yl}piperazin-1-yl)ethanol Z440829516 4-[(4-chlorophenyl)sulfonyl]-2-(ethylsulfonyl)-5-[4-(2-hydroxyethyl)piperaziny l]-1,3-thiazole HMS2958K04 MLS003880478 [ Show all ] |
Inchi Key | FBVBNYPBBUIBRN-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C17H22ClN3O5S3/c1-2-28(23,24)17-19-15(29(25,26)14-5-3-13(18)4-6-14)16(27-17)21-9-7-20(8-10-21)11-12-22/h3-6,22H,2,7-12H2,1H3 |
PubChem CID | 20888797 |
ChEMBL | CHEMBL1506053 |
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 |
---|---|---|---|---|---|
74589 | Relaxin receptor 1 | Q9HBX9 | RXFP1 | Homo sapiens (Human) | 757 |
74591 | Relaxin receptor 2 | Q8WXD0 | RXFP2 | Homo sapiens (Human) | 754 |
74590 | Vasopressin V1b receptor | P47901 | AVPR1B | Homo sapiens (Human) | 424 |
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