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Name | SMR000285085 |
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Molecular formula | C22H25N7O4S |
IUPAC name | N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(7-ethyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide |
Molecular weight | 483.547 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 1.9 |
Synonyms | AB00139749-07 HMS603I06 N-(2,3-dimethyl-5-oxo-1-phenyl(3-pyrazolin-4-yl))-2-(7-ethyl-1,3-dimethyl-2,6- dioxo(1,3,7-trihydropurin-8-ylthio))acetamide BAS 04241245 MLS003909686 [ Show all ] |
Inchi Key | DKEGLNNQRSERFN-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H25N7O4S/c1-6-28-17-18(25(3)22(33)26(4)20(17)32)24-21(28)34-12-15(30)23-16-13(2)27(5)29(19(16)31)14-10-8-7-9-11-14/h7-11H,6,12H2,1-5H3,(H,23,30) |
PubChem CID | 1072636 |
ChEMBL | CHEMBL1572163 |
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 |
---|---|---|---|---|---|
62130 | Relaxin receptor 1 | Q9HBX9 | RXFP1 | Homo sapiens (Human) | 757 |
62131 | Relaxin receptor 2 | Q8WXD0 | RXFP2 | Homo sapiens (Human) | 754 |
62129 | Vasopressin V1b receptor | P47901 | AVPR1B | Homo sapiens (Human) | 424 |
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