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Yorodumi- ChemComp-6QS: [(2~{R})-oxolan-2-yl]methyl 4-(9-ethylcarbazol-3-yl)-2-methyl-5-o... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 6QS |
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Name | Name: [( |
-Chemical information
Composition | Formula: C30H32N2O4 / Number of atoms: 68 / Formula weight: 484.586 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 6QS / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5K5E | ||||||
History |
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External links | UniChem / PubChem / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.5 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.5 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
OpenEye OEToolkits 2.0.5 | [( |
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-PDB entries
Showing all 1 items
PDB-5k5e:
Discovery and Structure-Activity Relationships of a Highly Selective Butyrylcholinesterase Inhibitor by Structure-Based Virtual Screening