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Name | SCHEMBL2774156 |
---|---|
Molecular formula | C31H23ClN4O5S |
IUPAC name | 3-[2-(4-chlorophenyl)-2-oxoethyl]-6-ethyl-1-[[4-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]thieno[2,3-d]pyrimidine-2,4-dione |
Molecular weight | 599.058 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 6.3 |
Synonyms | US8501750, 121 CHEMBL3640136 BDBM99957 |
Inchi Key | BQQNXENLBUEQAV-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C31H23ClN4O5S/c1-2-22-15-25-28(38)35(17-26(37)20-11-13-21(32)14-12-20)31(40)36(29(25)42-22)16-18-7-9-19(10-8-18)23-5-3-4-6-24(23)27-33-30(39)41-34-27/h3-15H,2,16-17H2,1H3,(H,33,34,39) |
PubChem CID | 136052394 |
ChEMBL | CHEMBL3640136 |
IUPHAR | N/A |
BindingDB | 99957 |
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 |
---|---|---|---|---|---|
30560 | Type-1 angiotensin II receptor | P30556 | AGTR1 | Homo sapiens (Human) | 359 |
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