+Open data
-Basic information
Entry | Database: PDB chemical components / ID: IUD |
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Name | Name: Synonyms: 3-[4-(4-azanylpiperidin-1-yl)-3-[3,5-bis(fluoranyl)phenyl]quinolin-6-yl]-2-oxidanyl-benzenecarbonitrile |
-Chemical information
Composition | Formula: C27H22F2N4O / Number of atoms: 56 / Formula weight: 456.487 / Formal charge: 0 | ||||||
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Others | Type: non-polymer / PDB classification: HETAD / Three letter code: IUD / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7YAC | ||||||
History |
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External links | BindingDB / UniChem / DrugBank / PubChem / SureChEMBL / ChemSpider / 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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-PDB entries
Showing all 1 items
PDB-7yac:
Paltusotine-bound SSTR2-Gi complex