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Yorodumi- ChemComp-7EN: (1S)-2,3-bis(2-chloro-4-hydroxyphenyl)-1H-1lambda~4~-thiophen-1-one -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 7EN |
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Name | Name: ( |
-Chemical information
Composition | Formula: C16H10Cl2O3S / Number of atoms: 32 / Formula weight: 353.22 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 7EN / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5TM3 | ||||
History |
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External links | UniChem / ChemSpider / 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 2.0.6 | |
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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
ACDLabs 12.01 | (OpenEye OEToolkits 2.0.6 | |
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-PDB entries
Showing all 1 items
PDB-5tm3:
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 2,3-bis(2-chloro-4-hydroxyphenyl)thiophene 1-oxide