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Yorodumi- ChemComp-Y22: 6-(trifluoromethyl)-3-{[4-(trifluoromethyl)benzyl]amino}quinoxali... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: Y22 |
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Name | Name: |
-Chemical information
Composition | Formula: C18H11F6N3O2 / Number of atoms: 40 / Formula weight: 415.289 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: Y22 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4P8C | ||||||
History |
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External links | UniChem / BindingDB / ChEMBL / PubChem / ZINC / 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 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-4p8c:
Crystal structure of M. tuberculosis DprE1 in complex with the non-covalent inhibitor QN127