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Yorodumi- ChemComp-CJQ: 2-[(3~{R})-12-(4-morpholin-4-ylcyclohexyl)oxy-7-thia-9,11-diazatr... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: CJQ |
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Name | Name: |
-Chemical information
Composition | Formula: C21H28N4O3S / Number of atoms: 57 / Formula weight: 416.537 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: CJQ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6F3E | ||||
History |
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External links | UniChem / ChemSpider / BindingDB / ChEMBL / GtoPharmacology / SureChEMBL / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
OpenEye OEToolkits 2.0.6 |
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-PDB entries
Showing all 1 items
PDB-6f3e:
IRAK4 IN COMPLEX WITH inhibitor