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Yorodumi- ChemComp-36C: 3-[(4-fluorobenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carbox... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 36C |
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Name | Name: |
-Chemical information
Composition | Formula: C17H11F4N3O2 / Number of atoms: 37 / Formula weight: 365.282 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 36C / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4P8L | ||||||
History |
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External links | UniChem / BindingDB / ChEMBL / PubChem / PubChem_TPharma / 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-4p8l:
Crystal structure of M. tuberculosis DprE1 in complex with the non-covalent inhibitor Ty36c