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Yorodumi- ChemComp-053: 1-[(2-aminopyridin-4-yl)methyl]-3-(2-oxo-1,2-dihydropyridin-3-yl)... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 053 |
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Name | Name: |
-Chemical information
Composition | Formula: C21H15F3N4O3 / Number of atoms: 46 / Formula weight: 428.364 / Formal charge: 0 | ||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 53 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3SKA | ||
History |
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External links | UniChem / ChEMBL / PubChem / PubChem_TPharma / SureChEMBL / ZINC / ChemSpider / 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 1.7.2 | |
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-SMILES CANONICAL
CACTVS 3.370 | OpenEye OEToolkits 1.7.2 | |
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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 1.7.2 | |
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-PDB entries
Showing all 1 items
PDB-3ska:
I. Novel HCV NS5B Polymerase Inhibitors: Discovery of Indole 2- Carboxylic Acids with C3-Heterocycles