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Name | AC1NAH0H |
---|---|
Molecular formula | C20H26N6O5 |
IUPAC name | 8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-7-(3-hydroxypropyl)-1,3-dimethylpurine-2,6-dione |
Molecular weight | 430.465 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | -0.6 |
Synonyms | 8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-7-(3-hydroxypropyl)-1,3-dimethylpurine-2,6-dione STK852376 8-{[4-(furan-2-ylcarbonyl)piperazin-1-yl]methyl}-7-(3-hydroxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione MCULE-5350916084 SMR000622863 [ Show all ] |
Inchi Key | GRYSAZLBFFFFJN-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C20H26N6O5/c1-22-17-16(19(29)23(2)20(22)30)26(6-4-11-27)15(21-17)13-24-7-9-25(10-8-24)18(28)14-5-3-12-31-14/h3,5,12,27H,4,6-11,13H2,1-2H3 |
PubChem CID | 4426797 |
ChEMBL | CHEMBL1607800 |
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 |
---|---|---|---|---|---|
103902 | Relaxin receptor 1 | Q9HBX9 | RXFP1 | Homo sapiens (Human) | 757 |
103904 | Relaxin receptor 2 | Q8WXD0 | RXFP2 | Homo sapiens (Human) | 754 |
103903 | Vasopressin V1b receptor | P47901 | AVPR1B | Homo sapiens (Human) | 424 |
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