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Yorodumi- ChemComp-AVF: 1-{2-[3-(2-Chloro-4,5-difluoro-benzoyl)-ureido]-4-fluoro-phenyl}-... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: AVF |
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Name | Name: Synonyms: 1-[2-({[(2-chloro-4,5-difluorophenyl)carbonyl]carbamoyl}amino)-4-fluorophenyl]piperidine-4-carboxylic acid |
-Chemical information
Composition | Formula: C20H17ClF3N3O4 / Number of atoms: 48 / Formula weight: 455.815 / Formal charge: 0 | ||||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: AVF / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3CEJ | ||||||||
History |
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External links | UniChem / Brenda / ChEMBL / CompTox / DrugBank / PubChem / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 10.04 | CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-SMILES CANONICAL
CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 10.04 | OpenEye OEToolkits 1.5.0 | |
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-PDB entries
Showing all 1 items
PDB-3cej:
Human glycogen phosphorylase (tense state) in complex with the allosteric inhibitor AVE2865