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Yorodumi- ChemComp-EAE: (1~{Z})-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: EAE |
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Name | Name: ( |
-Chemical information
Composition | Formula: C13H15NO2S / Number of atoms: 32 / Formula weight: 249.329 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: EAE / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6FYI | ||||
History |
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External links | BindingDB / UniChem / Brenda / ChEMBL / ChemicalBook / GtoPharmacology / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
OpenEye OEToolkits 2.0.6 | ( |
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