+Open data
-Basic information
Entry | Database: PDB chemical components / ID: CGE | ||
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Name | Name: Synonyms: methyl (2S)-(2-chlorophenyl)(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)ethanoate Comment | medication*YM | |
-Chemical information
Composition | Formula: C16H16ClNO2S / Number of atoms: 37 / Formula weight: 321.822 / Formal charge: 0 | ||||||||
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Others | Type: NON-POLYMER / PDB classification: HETAD / Three letter code: CGE / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3ME6 | ||||||||
History |
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External links | UniChem / BindingDB / Brenda / ChEBI / ChEMBL / CompTox / DailyMed / DrugBank / GtoPharmacology / HMDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.370 | OpenEye OEToolkits 1.7.0 | |
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-SMILES CANONICAL
CACTVS 3.370 | OpenEye OEToolkits 1.7.0 | |
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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 1.7.0 | |
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