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Name | MLS001232852 |
---|---|
Molecular formula | C20H18N6O2S |
IUPAC name | N-(4-ethoxyphenyl)-2-[(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide |
Molecular weight | 406.464 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 2.4 |
Synonyms | HMS2976F18 N-p-phenetyl-2-[[3-(3-pyridyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio]acetamide 868968-72-3 MolPort-003-077-563 BDBM91142 [ Show all ] |
Inchi Key | FTZHMJZKHMDGMQ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C20H18N6O2S/c1-2-28-16-7-5-15(6-8-16)22-18(27)13-29-19-10-9-17-23-24-20(26(17)25-19)14-4-3-11-21-12-14/h3-12H,2,13H2,1H3,(H,22,27) |
PubChem CID | 7190688 |
ChEMBL | CHEMBL1344377 |
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 |
---|---|---|---|---|---|
87262 | Relaxin receptor 1 | Q9HBX9 | RXFP1 | Homo sapiens (Human) | 757 |
87263 | Relaxin receptor 2 | Q8WXD0 | RXFP2 | Homo sapiens (Human) | 754 |
87264 | Vasopressin V1b receptor | P47901 | AVPR1B | Homo sapiens (Human) | 424 |
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