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Name | CHEMBL481614 |
---|---|
Molecular formula | C25H22Cl2F2N2O4S |
IUPAC name | (E)-N-(3,5-dichlorophenyl)sulfonyl-3-[1-[(3,4-difluorophenyl)methyl]-3a-methyl-2-oxo-3,4,5,6-tetrahydroindol-7-yl]prop-2-enamide |
Molecular weight | 555.418 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 4.7 |
Synonyms | BDBM50255286 N-(3,5-dichlorophenylsulfonyl)-3-(1-(3,4-difluorobenzyl)-3a-methyl-2-oxo-2,3,3a,4,5,6-hexahydro-1H-indol-7-yl)acrylamide |
Inchi Key | AIEHEPFQGINRGI-FNORWQNLSA-N |
Inchi ID | InChI=1S/C25H22Cl2F2N2O4S/c1-25-8-2-3-16(5-7-22(32)30-36(34,35)19-11-17(26)10-18(27)12-19)24(25)31(23(33)13-25)14-15-4-6-20(28)21(29)9-15/h4-7,9-12H,2-3,8,13-14H2,1H3,(H,30,32)/b7-5+ |
PubChem CID | 44570829 |
ChEMBL | CHEMBL481614 |
IUPHAR | N/A |
BindingDB | 50255286 |
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 |
---|---|---|---|---|---|
6135 | Prostaglandin E2 receptor EP3 subtype | P43115 | PTGER3 | Homo sapiens (Human) | 390 |
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