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CHEBI:759065 - ensitrelvir fumarate
| Formula | C4H4O4.C22H17ClF3N9O2 |
| Net Charge | 0 |
| Average Mass | 647.958 |
| Monoisotopic Mass | 647.12554 |
| SMILES | Cn1cnc(Cn2c(=O)n/c(=N\c3cc4cn(C)nc4cc3Cl)n(Cc3cc(F)c(F)cc3F)c2=O)n1.O=C(O)/C=C/C(=O)O |
| InChI | InChI=1S/C22H17ClF3N9O2.C4H4O4/c1-32-7-12-4-18(13(23)5-17(12)30-32)28-20-29-21(36)35(9-19-27-10-33(2)31-19)22(37)34(20)8-11-3-15(25)16(26)6-14(11)24;5-3(6)1-2-4(7)8/h3-7,10H,8-9H2,1-2H3,(H,28,29,36);1-2H,(H,5,6)(H,7,8)/b;2-1+ |
| InChIKey | FBOCUALVLIWPNQ-WLHGVMLRSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| ensitrelvir fumarate (CHEBI:759065) has role anticoronaviral agent (CHEBI:149553) |
| ensitrelvir fumarate (CHEBI:759065) is a indazoles (CHEBI:38769) |
| ensitrelvir fumarate (CHEBI:759065) is a organic molecular entity (CHEBI:50860) |
| Synonyms | Source |
|---|---|
| Ensitrelvir fumarate | ChEMBL |
| S-217622B | ChEMBL |
| Citations |
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