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Name | MLS001018867 |
---|---|
Molecular formula | C21H18N4O4 |
IUPAC name | 4-[2-(6-amino-1-benzyl-3-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethoxy]benzonitrile |
Molecular weight | 390.399 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 2.3 |
Synonyms | 4-[2-(6-amino-1-benzyl-3-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethoxy]benzonitrile HMS2725B20 AC1M10MO CHEMBL1537193 4-[2-[4-amino-1-methyl-2,6-dioxo-3-(phenylmethyl)-5-pyrimidinyl]-2-oxoethoxy]benzonitrile [ Show all ] |
Inchi Key | FVBDGWCLWDOGFC-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C21H18N4O4/c1-24-20(27)18(17(26)13-29-16-9-7-14(11-22)8-10-16)19(23)25(21(24)28)12-15-5-3-2-4-6-15/h2-10H,12-13,23H2,1H3 |
PubChem CID | 2086676 |
ChEMBL | CHEMBL1537193 |
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 |
---|---|---|---|---|---|
87940 | Relaxin receptor 1 | Q9HBX9 | RXFP1 | Homo sapiens (Human) | 757 |
87941 | Relaxin receptor 2 | Q8WXD0 | RXFP2 | Homo sapiens (Human) | 754 |
87939 | Vasopressin V1b receptor | P47901 | AVPR1B | Homo sapiens (Human) | 424 |
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