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Name | CHEMBL482155 |
---|---|
Molecular formula | C23H22Cl2N2O4S2 |
IUPAC name | (E)-3-[1-[(2,4-dichlorophenyl)methyl]-3a-methyl-2-oxo-3,4,5,6-tetrahydroindol-7-yl]-N-thiophen-2-ylsulfonylprop-2-enamide |
Molecular weight | 525.459 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 4.5 |
Synonyms | BDBM50255886 3-(1-(2,4-dichlorobenzyl)-3a-methyl-2-oxo-2,3,3a,4,5,6-hexahydro-1H-indol-7-yl)-N-(thiophen-2-ylsulfonyl)acrylamide |
Inchi Key | ATUKHMAXHQIDBP-VQHVLOKHSA-N |
Inchi ID | InChI=1S/C23H22Cl2N2O4S2/c1-23-10-2-4-15(7-9-19(28)26-33(30,31)21-5-3-11-32-21)22(23)27(20(29)13-23)14-16-6-8-17(24)12-18(16)25/h3,5-9,11-12H,2,4,10,13-14H2,1H3,(H,26,28)/b9-7+ |
PubChem CID | 44571318 |
ChEMBL | CHEMBL482155 |
IUPHAR | N/A |
BindingDB | 50255886 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
14338 | Prostaglandin E2 receptor EP3 subtype | P43115 | PTGER3 | Homo sapiens (Human) | 390 |
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