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Yorodumi- ChemComp-0F4: 1-(3-{[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihydro-1H-in... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 0F4 |
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Name | Name: |
-Chemical information
Composition | Formula: C27H20F3N5O2 / Number of atoms: 57 / Formula weight: 503.475 / Formal charge: 0 | ||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 0F4 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3V5Q | ||
History |
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External links | UniChem / ChemSpider / BindingDB / ChEMBL / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.370 | OpenEye OEToolkits 1.7.6 | |
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-SMILES CANONICAL
CACTVS 3.370 | 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-3v5q:
Discovery of a selective TRK Inhibitor with efficacy in rodent cancer tumor models