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Yorodumi- ChemComp-2R2: [4-(2-methoxyethyl)piperazin-1-yl][6-methyl-7-nitro-5-(trifluorom... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 2R2 |
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Name | Name: [ |
-Chemical information
Composition | Formula: C17H19F3N4O4S / Number of atoms: 48 / Formula weight: 432.417 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 2R2 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4PFD | ||||||
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-4pfd:
Crystal structure of M. tuberculosis in complex with a cBT - non-covalent adduct