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Yorodumi- ChemComp-CWK: 3'-chloro-4'-(alpha-D-mannopyranosyloxy)biphenyl-4-carbonitrile -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: CWK |
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Name | Name: |
-Chemical information
Composition | Formula: C19H18ClNO6 / Number of atoms: 45 / Formula weight: 391.802 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: CWK / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4CST | ||||||
History |
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External links | UniChem / ChemSpider / ChEMBL / Nikkaji / PubChem / SureChEMBL / ZINC / 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 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
ACDLabs 12.01 | OpenEye OEToolkits 1.7.6 | |
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-PDB entries
Showing all 1 items
PDB-4cst:
Crystal structure of FimH in complex with 3'-Chloro-4'-(alpha-D-mannopyranosyloxy)-biphenyl-4-carbonitrile