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Name | CHEMBL16010 |
---|---|
Molecular formula | C29H23N5O |
IUPAC name | 4-(2,2-diphenylethylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one |
Molecular weight | 457.537 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 1 |
XlogP | 5.5 |
Synonyms | 2-Phenyl-4-[(2,2-diphenylethyl)amino][1,2,4]triazolo[4,3-a]quinoxaline-1(2H)-one BDBM50086142 4-(2,2-Diphenyl-ethylamino)-2-phenyl-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one |
Inchi Key | DGGBTTQRSUZHEO-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C29H23N5O/c35-29-33-26-19-11-10-18-25(26)31-27(28(33)32-34(29)23-16-8-3-9-17-23)30-20-24(21-12-4-1-5-13-21)22-14-6-2-7-15-22/h1-19,24H,20H2,(H,30,31) |
PubChem CID | 10551807 |
ChEMBL | CHEMBL16010 |
IUPHAR | N/A |
BindingDB | 50086142 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
59231 | Adenosine receptor A1 | P28190 | ADORA1 | Bos taurus (Bovine) | 326 |
59232 | Adenosine receptor A2a | P29274 | ADORA2A | Homo sapiens (Human) | 412 |
59230 | Adenosine receptor A3 | P0DMS8 | ADORA3 | Homo sapiens (Human) | 318 |
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