SCHEMBL12616233
SCHEMBL12616233 is a SARS-CoV-2 main protease (MPro) inhibitor. SCHEMBL12616233 binds to the active cavity of SARS-CoV-2 MPro and forms a stable complex. SCHEMBL12616233 can be used for the research of covid-19.
Nur für Forschungszwecke. Wir verkaufen nicht an Patienten.
- CAS. Nr.: 910644-11-0
- Formel: C15H21N3O2
- Molecular Weight:275.35
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Speicherung:
Please store the product under the recommended conditions in the Certificate of Analysis.
To place orders, for customer services and technical support, please contact: MedChemExpress USA
Tel: 609-228-6898 E-mail: [email protected] [email protected]
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Biologische Aktivität
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Chemical Information
- Reinheit & Dokumentation
- Verweise
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Help & FAQs
Biologische Aktivität
SCHEMBL12616233 binds to the active site of SARS-CoV-2 MPro with a binding affinity of −9.5 kcal/mol via a network of hydrogen and hydrophobic interactions[1].
SCHEMBL12616233 forms a stable complex with SARS-CoV-2 MPro, with a net binding free energy of −22.54 kcal/mol and average absolute binding free energy of −16.02 kcal/mol, stabilized by interactions with 8 hotspot active site residues[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
Chemical Information
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CAS. Nr. 910644-11-0
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Molecular Weight 275.35
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Formel C15H21N3O2
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SMILES
O=C1C=CC(C(N2CCCC2CN3CCCC3)=O)=CN1
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Versand
Room temperature in continental US; may vary elsewhere.
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Speicherung
Please store the product under the recommended conditions in the Certificate of Analysis.
Reinheit & Dokumentation
Verweise
Calculators
Konzentration (Stammlösung) × Volumen (Stammlösung) = Konzentration (Ziellösung) × Volumen (Ziellösung)
SCHEMBL12616233 Related Classifications
HY-183661 Related Classifications
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