Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LLT50M
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| Ligand Name |
Ensitrelvir
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| Synonyms |
Ensitrelvir; 2647530-73-0; Ensitrelvir [INN]; PX665RAA3H; Ensitrelvir (S-217622); S-217622; (E)-6-((6-chloro-2-methyl-2H-indazol-5-yl)imino)-3-((1-methyl-1H-1,2,4-triazol-3-yl)methyl)-1-(2,4,5-trifluorobenzyl)-1,3,5-triazinane-2,4-dione; 1,3,5-Triazine-2,4(1H,3H)-dione, 6-((6-chloro-2-methyl-2H-indazol-5-yl)imino)dihydro-3-((1-methyl-1H-1,2,4-triazol-3-yl)methyl)-1-((2,4,5-trifluorophenyl)methyl)-, (6E)-; 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione; Xocova; 7YY; UNII-PX665RAA3H; GTPL11871; BDBM513874; GLXC-25352; EX-A5760; AT32299; compound 3 [PMID: 35352927]; HY-143216; compound I-0006 [WO2022138987]; CS-0374996; S217622; bioRxiv20220126.477782, S-217622; (6E)-6-[(6-chloro-2-methyl-2H-indazol-5-yl)imino]-3-[(1-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-[(2,4,5-trifluorophenyl)methyl]-1,3,5-triazinane-2,4-dione
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| Structure |
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Download2D MOL |
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| Formula |
C22H17ClF3N9O2
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| Canonical SMILES |
CN1C=C2C=C(C(=CC2=N1)Cl)NC3=NC(=O)N(C(=O)N3CC4=CC(=C(C=C4F)F)F)CC5=NN(C=N5)C
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| InChI |
1S/C22H17ClF3N9O2/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/h3-7,10H,8-9H2,1-2H3,(H,28,29,36)
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| InChIKey |
QMPBBNUOBOFBFS-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
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