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Yorodumi- ChemComp-9NT: ~{N}-(1,3-benzodioxol-5-yl)-2-piperidin-1-ium-1-yl-ethanamide -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 9NT |
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Name | Name: ~{ |
-Chemical information
Composition | Formula: C14H19N2O3 / Number of atoms: 38 / Formula weight: 263.312 / Formal charge: 1 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 9NT / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5N1E | ||||
History |
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External links | UniChem / ChemSpider / PubChem / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
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
OpenEye OEToolkits 2.0.6 | ~{ |
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-PDB entries
Showing all 1 items
PDB-5n1e:
cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule N-(1,3-benzodioxol-5-yl)-2-piperidin-1-ylacetamide