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Name | MLS000624310 |
---|---|
Molecular formula | C16H17N5O2S |
IUPAC name | ethyl 2-[(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]butanoate |
Molecular weight | 343.405 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 0 |
XlogP | 2.4 |
Synonyms | CHEMBL1341871 MolPort-003-077-623 2-[[3-(3-pyridyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio]butyric acid ethyl ester ethyl 2-[(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]butanoate SR-01000016323 [ Show all ] |
Inchi Key | BUPVLXNJKKOQAW-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C16H17N5O2S/c1-3-12(16(22)23-4-2)24-14-8-7-13-18-19-15(21(13)20-14)11-6-5-9-17-10-11/h5-10,12H,3-4H2,1-2H3 |
PubChem CID | 16189291 |
ChEMBL | CHEMBL1341871 |
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 |
---|---|---|---|---|---|
33262 | Relaxin receptor 1 | Q9HBX9 | RXFP1 | Homo sapiens (Human) | 757 |
33263 | Relaxin receptor 2 | Q8WXD0 | RXFP2 | Homo sapiens (Human) | 754 |
33264 | Vasopressin V1b receptor | P47901 | AVPR1B | Homo sapiens (Human) | 424 |
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