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Yorodumi- ChemComp-NB0: 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]quinolin-2(1H)-one -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: NB0 |
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Name | Name: |
-Chemical information
Composition | Formula: C20H18FN3O2 / Number of atoms: 44 / Formula weight: 351.374 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: NB0 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7GE8 | ||||
History |
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External links | UniChem / ChemSpider / BindingDB / PubChem / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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-InChI
InChI 1.06 |
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-InChIKey
InChI 1.06 |
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-SYSTEMATIC NAME
ACDLabs 12.01 | OpenEye OEToolkits 2.0.7 | |
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-PDB entries
Showing all 1 items
PDB-7ge8:
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with BEN-DND-7e92b6ca-16 (Mpro-x11366)