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Name | CHEMBL3719223 |
---|---|
Molecular formula | C32H31N5O6S2 |
IUPAC name | 4-[4-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]oxan-4-yl]-N,N-dimethylbenzamide |
Molecular weight | 645.749 |
Hydrogen bond acceptor | 11 |
Hydrogen bond donor | 0 |
XlogP | 5.3 |
Synonyms | BDBM176128 CXZHQWBVEDJXCG-UHFFFAOYSA-N SCHEMBL15348988 4-(4-(4-(((6-Methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)benzofuran-4-yl)oxy)methyl)thiazol-2-yl)tetrahydro-2H-pyran-4-yl)-N,N-dimethylbenzamide US9688695, 161 |
Inchi Key | CXZHQWBVEDJXCG-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C32H31N5O6S2/c1-36(2)28(38)19-5-7-20(8-6-19)32(9-11-41-12-10-32)29-33-21(18-44-29)17-42-25-13-22(39-3)14-26-23(25)15-27(43-26)24-16-37-30(34-24)45-31(35-37)40-4/h5-8,13-16,18H,9-12,17H2,1-4H3 |
PubChem CID | 89872973 |
ChEMBL | CHEMBL3719223 |
IUPHAR | N/A |
BindingDB | 176128 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 10 hydrogen bond acceptor. 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 |
---|---|---|---|---|---|
523089 | Proteinase-activated receptor 4 | Q96RI0 | F2RL3 | Homo sapiens (Human) | 385 |
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