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Yorodumi- ChemComp-R58: 3-[(4-ethoxybenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carbox... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: R58 |
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Name | Name: |
-Chemical information
Composition | Formula: C19H16F3N3O3 / Number of atoms: 44 / Formula weight: 391.344 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: R58 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4P8M | ||||||
History |
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External links | UniChem / ChemSpider / BindingDB / ChEMBL / PubChem / ZINC / 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 1.9.2 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.9.2 | |
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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 1.9.2 | |
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-PDB entries
Showing all 1 items
PDB-4p8m:
Crystal structure of M. tuberculosis DprE1 in complex with the non-covalent inhibitor QN114