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Yorodumi- ChemComp-68L: N-[(5S)-2'-amino-3-(5,6-dihydro-2H-pyran-3-yl)-5'H-spiro[1-benzop... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 68L |
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Name | Name: |
-Chemical information
Composition | Formula: C25H20ClN5O4 / Number of atoms: 55 / Formula weight: 489.91 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 68L / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5I3W | ||||||
History |
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External links | UniChem / ChemSpider / Brenda / ChEMBL / PubChem / ZINC / 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 2.0.4 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.4 | |
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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 2.0.4 | ~{ | |
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-PDB entries
Showing all 1 items
PDB-5i3w:
Crystal structure of BACE1 in complex with 2-aminooxazoline-3-azaxanthene inhibitor 2