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Yorodumi- ChemComp-68M: (2R)-3-[2-amino-6-(3-methylpyridin-2-yl)quinolin-3-yl]-N-(3,3-dim... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 68M |
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Name | Name: ( |
-Chemical information
Composition | Formula: C25H32N4O / Number of atoms: 62 / Formula weight: 404.548 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 68M / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5I3V | ||||
History |
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External links | UniChem / ChemSpider / BindingDB / Brenda / ChEMBL / PubChem / PubChem_TPharma / SureChEMBL / 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-5i3v:
Crystal structure of BACE1 in complex with aminoquinoline compound 1