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Yorodumi- ChemComp-9N2: 2-(4-fluoranyl-3-oxidanyl-phenyl)carbonylquinoline-7-carbonitrile -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 9N2 |
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Name | Name: |
-Chemical information
Composition | Formula: C17H9FN2O2 / Number of atoms: 31 / Formula weight: 292.264 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 9N2 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5O7C | ||||
History |
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External links | UniChem / ChEMBL / PubChem / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
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
OpenEye OEToolkits 2.0.6 |
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-PDB entries
Showing all 1 items
PDB-5o7c:
17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal quinoline based inhibitor