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Yorodumi- ChemComp-O0U: 2-chloranyl-~{N}-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-5-nitro-... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: O0U |
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Name | Name: |
-Chemical information
Composition | Formula: C22H16ClN3O4 / Number of atoms: 46 / Formula weight: 421.833 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: O0U / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8AQN | ||||
History |
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External links | UniChem / ChEMBL / 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 3.1.0.0 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 3.1.0.0 | |
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-InChI
InChI 1.06 |
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-InChIKey
InChI 1.06 |
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-PDB entries
Showing all 1 items
PDB-8aqn:
Crystal structure of PPARG and NCOR2 with BAY-4931, an inverse agonist (compound 6c)