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Name | CHEMBL3945945 |
---|---|
Molecular formula | C25H22F2N6O2 |
IUPAC name | 2-[6-[(E)-2-[(3R,4R,5S,7aS)-6,6-difluoro-3,5-dimethyl-1-oxo-7a-(tetrazol-1-yl)-3a,4,5,7-tetrahydro-3H-2-benzofuran-4-yl]ethenyl]pyridin-3-yl]benzonitrile |
Molecular weight | 476.488 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 0 |
XlogP | 4.2 |
Synonyms | BDBM230696 US9340530, 30 US9340530, 31 |
Inchi Key | ASBBJHWLRMSCCK-SATMQZBVSA-N |
Inchi ID | InChI=1S/C25H22F2N6O2/c1-15-20(10-9-19-8-7-18(12-29-19)21-6-4-3-5-17(21)11-28)22-16(2)35-23(34)24(22,13-25(15,26)27)33-14-30-31-32-33/h3-10,12,14-16,20,22H,13H2,1-2H3/b10-9+/t15-,16+,20-,22?,24-/m0/s1 |
PubChem CID | 127053964 |
ChEMBL | CHEMBL3945945 |
IUPHAR | N/A |
BindingDB | 230696 |
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 |
---|---|---|---|---|---|
536331 | Proteinase-activated receptor 1 | P25116 | F2R | Homo sapiens (Human) | 425 |
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