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Name | Oprea1_804678 |
---|---|
Molecular formula | C19H15N5O3S |
IUPAC name | 3-[[2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl]amino]benzoic acid |
Molecular weight | 393.421 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 2 |
XlogP | 2.3 |
Synonyms | HMS2875P23 SMR000504561 ZINC12486295 MLS001212724 3-[2-(5-Methyl-5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)-acetylamino]-benzoic acid [ Show all ] |
Inchi Key | GRPTWTHXAPTZDC-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C19H15N5O3S/c1-24-14-8-3-2-7-13(14)16-17(24)21-19(23-22-16)28-10-15(25)20-12-6-4-5-11(9-12)18(26)27/h2-9H,10H2,1H3,(H,20,25)(H,26,27) |
PubChem CID | 24000844 |
ChEMBL | CHEMBL1360279 |
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 |
---|---|---|---|---|---|
103640 | Relaxin receptor 1 | Q9HBX9 | RXFP1 | Homo sapiens (Human) | 757 |
103641 | Relaxin receptor 2 | Q8WXD0 | RXFP2 | Homo sapiens (Human) | 754 |
103642 | Vasopressin V1b receptor | P47901 | AVPR1B | Homo sapiens (Human) | 424 |
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