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Name | CHEMBL195909 |
---|---|
Molecular formula | C22H29NO2 |
IUPAC name | (3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-(6-ethylpyridin-2-yl)ethenyl]-3-methyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][2]benzofuran-1-one |
Molecular weight | 339.479 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 0 |
XlogP | 5.3 |
Synonyms | BDBM50173411 (3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-(6-Ethyl-pyridin-2-yl)-vinyl]-3-methyl-decahydro-naphtho[2,3-c]furan-1-one |
Inchi Key | BIPJMTJKFWKTPB-JNUOBGGJSA-N |
Inchi ID | InChI=1S/C22H29NO2/c1-3-16-8-6-9-17(23-16)11-12-19-18-10-5-4-7-15(18)13-20-21(19)14(2)25-22(20)24/h6,8-9,11-12,14-15,18-21H,3-5,7,10,13H2,1-2H3/b12-11+/t14-,15+,18-,19+,20-,21+/m0/s1 |
PubChem CID | 44403839 |
ChEMBL | CHEMBL195909 |
IUPHAR | N/A |
BindingDB | 50173411 |
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 |
---|---|---|---|---|---|
24638 | Proteinase-activated receptor 1 | P25116 | F2R | Homo sapiens (Human) | 425 |
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