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Yorodumi- ChemComp-JKN: 6,8-bis(fluoranyl)-2-[4-(2-oxidanylpropan-2-yl)phenyl]-3~{H}-quin... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: JKN |
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Name | Name: |
-Chemical information
Composition | Formula: C17H14F2N2O2 / Number of atoms: 37 / Formula weight: 316.302 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: JKN / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6QXU | ||||
History |
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External links | UniChem / BindingDB / ChEMBL / PubChem / SureChEMBL / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-PDB entries
Showing all 1 items
PDB-6qxu:
Human TNKS1 in complex with 6,8-Difluoro-2-[4-(1-hydroxy-1-methyl-ethyl)-phenyl]-3H-quinazolin-4-one