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Yorodumi- ChemComp-Q5U: 1-[(2S)-2,3-dihydro-1,4-benzodioxin-2-yl]-N-methylmethanamine -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: Q5U |
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Name | Name: |
-Chemical information
Composition | Formula: C10H13NO2 / Number of atoms: 26 / Formula weight: 179.216 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: Q5U / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5SNQ | ||||
History |
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External links | UniChem / ChemSpider / ChEMBL / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / 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-5snq:
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1891773476