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Yorodumi- ChemComp-35E: [1-(3-{[1-(quinolin-2-yl)azetidin-3-yl]oxy}pyrazin-2-yl)piperidin... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 35E |
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Name | Name: [ |
-Chemical information
Composition | Formula: C22H25N5O2 / Number of atoms: 54 / Formula weight: 391.466 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 35E / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4TPM | ||||||
History |
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External links | UniChem / BindingDB / ChEMBL / PubChem / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.385 | OpenEye OEToolkits 1.9.2 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.9.2 | |
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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 1.9.2 | [ | |
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-PDB entries
Showing all 1 items
PDB-4tpm:
Crystal structure of 2-(3-alkoxy-1-azetidinyl) quinolines as PDE10A Inhibitors