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Yorodumi- ChemComp-O4W: 5-chloranyl-3,3-dimethyl-2-[5-[1-(1-methylpyrazol-4-yl)carbonylaz... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: O4W |
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Name | Name: |
-Chemical information
Composition | Formula: C23H22ClN5O3 / Number of atoms: 54 / Formula weight: 451.905 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: O4W / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6XZ9 | ||||
History |
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External links | UniChem / ChemSpider / BindingDB / ChEMBL / PubChem / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-PDB entries
Showing all 1 items
PDB-6xz9:
Structure of aldosterone synthase (CYP11B2) in complex with 5-chloro-3,3-dimethyl-2-[5-[1-(1-methylpyrazole-4-carbonyl)azetidin-3-yl]oxy-3-pyridyl]isoindolin-1-one