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Yorodumi- ChemComp-AI6: N-tert-butyl-1-[8-[3-(4-prop-2-ynylpiperazin-1-yl)propoxy]quinoli... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: AI6 |
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Name | Name: Synonyms: (Z)-N-tert-butyl-1-(8-(3-(4-(prop-2-yn-1-yl)piperazin-1-yl)propoxy)quinolin-2-yl)methanimine oxide |
-Chemical information
Composition | Formula: C24H32N4O2 / Number of atoms: 62 / Formula weight: 408.536 / Formal charge: 0 | ||||||||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: AI6 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7QBR | ||||||||||
History |
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External links | UniChem / 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-7qbr:
Human butyrylcholinesterase in complex with (Z)-N-tert-butyl-1-(8-(3-(4-(prop-2-yn-1-yl)piperazin-1-yl)propoxy)quinolin-2-yl)methanimine oxide