Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LL90RS
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| Ligand Name |
5-(azetidin-3-ylamino)-2-methyl-~{N}-[(1~{R})-1-[3-[5-[[[(3~{R})-oxolan-3-yl]amino]methyl]thiophen-2-yl]phenyl]ethyl]benzamide
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| Synonyms |
5-(azetidin-3-ylamino)-2-methyl-~{N}-[(1~{R})-1-[3-[5-[[[(3~{R})-oxolan-3-yl]amino]methyl]thiophen-2-yl]phenyl]ethyl]benzamide; BDBM496856; SARS-CoV-2 PLpro Inhibitor, 86; Y97
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| Structure |
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Download2D MOL |
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| Formula |
C28H34N4O2S
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| Canonical SMILES |
CC1=C(C=C(C=C1)NC2CNC2)C(=O)NC(C)C3=CC=CC(=C3)C4=CC=C(S4)CNC5CCOC5
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| InChI |
1S/C28H34N4O2S/c1-18-6-7-22(32-24-14-29-15-24)13-26(18)28(33)31-19(2)20-4-3-5-21(12-20)27-9-8-25(35-27)16-30-23-10-11-34-17-23/h3-9,12-13,19,23-24,29-30,32H,10-11,14-17H2,1-2H3,(H,31,33)/t19-,23-/m1/s1
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| InChIKey |
JZRRCGQQCZGHEA-AUSIDOKSSA-N
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| PubChem Compound ID | ||||
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