2920904-06-7
2920904-06-7
Chemical Structure
Simnotrelvir
Synonym(s): SIM0417; SARS-CoV-2-IN-41
- CAS No.: 2920904-06-7
- Formula:C22H30F3N5O4S2
- Molecular Weight:549.63
InChIKey: LQBRGTAIBBFUJJ-ZQDZILKHSA-N
SMILES: FC(F)(F)C(N[C@@H](C(C)(C)C)C(N1CC2(SCCS2)C[C@H]1C(N[C@H](C#N)C[C@H]3C(NCC3)=O)=O)=O)=O
Biological Activity: SARS-CoV-2-IN-41 (compound 2) is a potent SARS-CoV-2 3CLpro inhibitor with an IC50 value of 0.022 µM. SARS-CoV-2-IN-41 shows antiviral effect[1].
| Cat. No. | Product Name | Purity | Description | Pricing | |||||||||||||||||||
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Simnotrelvir | 99.94% | SARS-CoV-2-IN-41 (compound 2) is a potent SARS-CoV-2 3CLpro inhibitor with an IC50 value of 0.022 µM. SARS-CoV-2-IN-41 shows antiviral effect. | ||||||||||||||||||||
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Structural Analogs
-
Similarity Score 0.69
HY-138687RNirmatrelvir (Standard) -
Similarity Score 0.67
HY-162229GRL-190-21 -
Similarity Score 0.65
HY-156654Ibuzatrelvir -
Similarity Score 0.64
HY-138687S1Nirmatrelvir-d6 -
Similarity Score 0.62
HY-156653SDeunirmatrelvir -
Similarity Score 0.61
HY-175029ALG-097558 -
Similarity Score 0.59
HY-138687SNirmatrelvir-d9 -
Similarity Score 0.56
HY-158073ML2006a4 -
Similarity Score 0.56
HY-171164Nirmatrelvir analog-1 -
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