+Open data
-Basic information
Entry | Database: PDB chemical components / ID: C9F | ||
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Name | Name: Comment | medication, channel blocker*YM | |
-Chemical information
Composition | Formula: C22H26N2O4S / Number of atoms: 55 / Formula weight: 414.518 / Formal charge: 0 | ||||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: C9F / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6JPB | ||||||
History |
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External links | UniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DailyMed / DrugBank / GtoPharmacology / HMDB / KEGG_Ligand / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / 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 1.06 |
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-InChIKey
InChI 1.06 |
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