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Yorodumi- ChemComp-S8T: 9-fluoranyl-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepine -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: S8T |
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Name | Name: Synonyms: Isofloxythepin |
-Chemical information
Composition | Formula: C17H17FS / Number of atoms: 36 / Formula weight: 272.38 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: S8T / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7AY7 | ||||
History |
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External links | UniChem / ChemSpider / PubChem / SureChEMBL / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
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 1.03 |
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-InChIKey
InChI 1.03 |
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-PDB entries
Showing all 1 items
PDB-7ay7:
Structure of SARS-CoV-2 Main Protease bound to Isofloxythepin