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Name | CHEMBL304329 |
---|---|
Molecular formula | C28H29N7O2 |
IUPAC name | 5-butyl-2-(2-hydroxy-2-phenylethyl)-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one |
Molecular weight | 495.587 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 4.1 |
Synonyms | BDBM50044345 L006305 5-Butyl-2-(2-hydroxy-2-phenyl-ethyl)-4-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-2,4-dihydro-[1,2,4]triazol-3-one SCHEMBL7396240 4-[[2'-(1H-Tetrazol-5-yl)-1,1'-biphenyl-4-yl]methyl]-2-(2-hydroxy-2-phenylethyl)-5-butyl-2H-1,2,4-triazol-3(4H)-one |
Inchi Key | ALBYDBQPQVBCCO-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C28H29N7O2/c1-2-3-13-26-31-35(19-25(36)22-9-5-4-6-10-22)28(37)34(26)18-20-14-16-21(17-15-20)23-11-7-8-12-24(23)27-29-32-33-30-27/h4-12,14-17,25,36H,2-3,13,18-19H2,1H3,(H,29,30,32,33) |
PubChem CID | 23590373 |
ChEMBL | CHEMBL304329 |
IUPHAR | N/A |
BindingDB | 50044345 |
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 |
---|---|---|---|---|---|
8123 | Type-1B angiotensin II receptor | P29089 | Agtr1b | Rattus norvegicus (Rat) | 359 |
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