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Yorodumi- ChemComp-76E: 2-CHLORO-6-FLUORO-N-[4-[3-(TRIFLUOROMETHYL)PHENYL]SULFONYL-3,5-DI... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 76E |
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Name | Name: |
-Chemical information
Composition | Formula: C23H17ClF4N2O4S / Number of atoms: 52 / Formula weight: 528.904 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: 76E / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5APJ | ||||
History |
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External links | UniChem / ChemSpider / ChEMBL / PubChem / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 1.7.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.7.6 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
OpenEye OEToolkits 1.7.6 |
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