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Yorodumi- ChemComp-Q4O: ~{N}3-[4-[bis(fluoranyl)methoxy]-3-fluoranyl-phenyl]-4-chloranyl-... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: Q4O |
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Name | Name: ~{ |
-Chemical information
Composition | Formula: C23H17ClF4N2O4 / Number of atoms: 51 / Formula weight: 496.839 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: Q4O / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8B91 | ||||
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
CACTVS 3.385 | OpenEye OEToolkits 3.1.0.0 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 3.1.0.0 | |
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-InChI
InChI 1.06 |
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-InChIKey
InChI 1.06 |
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-PDB entries
Showing all 1 items
PDB-8b91:
Crystal structure of mutant PPARG (C313A) and NCOR2 with an inverse agonist (compound SI-1)