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Name | CHEMBL155008 |
---|---|
Molecular formula | C28H27N7O2S |
IUPAC name | 4-[[5-butyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid |
Molecular weight | 525.631 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 2 |
XlogP | 5.5 |
Synonyms | BDBM50047814 4-{5-Butyl-4-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-4H-[1,2,4]triazol-3-ylsulfanylmethyl}-benzoic acid |
Inchi Key | BPJXTVAXRBARAT-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C28H27N7O2S/c1-2-3-8-25-29-32-28(38-18-20-11-15-22(16-12-20)27(36)37)35(25)17-19-9-13-21(14-10-19)23-6-4-5-7-24(23)26-30-33-34-31-26/h4-7,9-16H,2-3,8,17-18H2,1H3,(H,36,37)(H,30,31,33,34) |
PubChem CID | 10436877 |
ChEMBL | CHEMBL155008 |
IUPHAR | N/A |
BindingDB | 50047814 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
29641 | Type-1 angiotensin II receptor | P34976 | AGTR1 | Oryctolagus cuniculus (Rabbit) | 359 |
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