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Yorodumi- ChemComp-8QS: [(1R)-1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]aceti... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 8QS | ||
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Name | Name: [( Synonyms: (R)-Etodolac Comment | antiinflammatory*YM | |
-Chemical information
Composition | Formula: C17H21NO3 / Number of atoms: 42 / Formula weight: 287.354 / Formal charge: 0 | ||||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 8QS / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5V0V | ||||||||
History |
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External links | UniChem / ChemSpider / ChEBI / ChEMBL / ChemicalBook / CompTox / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / 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 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
ACDLabs 12.01 | [(OpenEye OEToolkits 2.0.6 | |
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-PDB entries
Showing all 1 items
PDB-5v0v:
Crystal structure of Equine Serum Albumin complex with etodolac