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Name | CHEMBL231713 |
---|---|
Molecular formula | C25H19ClFNO2 |
IUPAC name | (3aS,9R,9aR)-9-[(E)-2-[5-(3-chlorophenyl)pyridin-2-yl]ethenyl]-6-fluoro-3a,4,9,9a-tetrahydro-1H-benzo[f][2]benzofuran-3-one |
Molecular weight | 419.88 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 0 |
XlogP | 5.5 |
Synonyms | BDBM50212438 (3aR,4R,9aS,E)-4-(2-(5-(3-chlorophenyl)pyridin-2-yl)vinyl)-7-fluoro-3a,4,9,9a-tetrahydronaphtho[2,3-c]furan-1(3H)-one |
Inchi Key | AAWUYHSAVNUPEU-SRFLYUCYSA-N |
Inchi ID | InChI=1S/C25H19ClFNO2/c26-18-3-1-2-15(10-18)16-4-6-20(28-13-16)7-9-22-21-8-5-19(27)11-17(21)12-23-24(22)14-30-25(23)29/h1-11,13,22-24H,12,14H2/b9-7+/t22-,23-,24+/m0/s1 |
PubChem CID | 44432779 |
ChEMBL | CHEMBL231713 |
IUPHAR | N/A |
BindingDB | 50212438 |
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 |
---|---|---|---|---|---|
586 | Proteinase-activated receptor 1 | P25116 | F2R | Homo sapiens (Human) | 425 |
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