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Yorodumi- ChemComp-4GQ: N-cyclohexyl-N~3~-[2-(3,4-dichlorophenyl)ethyl]-N-(2-{[(2R)-2-hyd... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 4GQ |
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Name | Name: |
-Chemical information
Composition | Formula: C29H38Cl2N4O4 / Number of atoms: 77 / Formula weight: 577.542 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 4GQ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4YND | ||||
History |
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External links | UniChem / ChEMBL / ChemicalBook / 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-4ynd:
The Discovery of A-893, A New Cell-Active Benzoxazinone Inhibitor of Lysine Methyltransferase SMYD2