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Yorodumi- ChemComp-KF9: 3-{5-[1-(2,2-difluoro-2H-1,3-benzodioxol-4-yl)-4-oxo-1,4-dihydrop... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: KF9 |
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Name | Name: |
-Chemical information
Composition | Formula: C21H11F2N5O3 / Number of atoms: 42 / Formula weight: 419.341 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: KF9 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5SKF | ||||
History |
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External links | UniChem / PubChem / SureChEMBL / ChemSpider / 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 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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-SYSTEMATIC NAME
ACDLabs 12.01 | OpenEye OEToolkits 2.0.7 | |
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-PDB entries
Showing all 1 items
PDB-5skf:
Crystal Structure of human phosphodiesterase 10 in complex with 3-[5-[1-(2,2-difluoro-1,3-benzodioxol-4-yl)-4-oxopyridazin-3-yl]pyrazol-1-yl]benzonitrile