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Yorodumi- ChemComp-733: 6-fluoro-2-methyl-4-[(2,3,6-trichlorobenzyl)amino]quinoline-8-car... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 733 |
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Name | Name: |
-Chemical information
Composition | Formula: C18H13Cl3FN3O / Number of atoms: 39 / Formula weight: 412.673 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 733 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4XJS | ||||
History |
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External links | BindingDB / UniChem / ChEMBL / Nikkaji / PubChem / SureChEMBL / 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-4xjs:
Human CD38 complexed with inhibitor 1 [6-fluoro-2-methyl-4-[(2,3,6-trichlorobenzyl)amino]quinoline-8-carboxamide]