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Yorodumi- ChemComp-81Y: 3-[2-(morpholin-4-yl)pyridin-4-yl]-5-[(propan-2-yl)oxy]-1H-indazole -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 81Y |
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Name | Name: Synonyms: MLi-2 |
-Chemical information
Composition | Formula: C19H22N4O2 / Number of atoms: 47 / Formula weight: 338.404 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 81Y / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5U6I | ||||||
History |
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External links | UniChem / ChEMBL / PubChem / SureChEMBL / 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 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
ACDLabs 12.01 | OpenEye OEToolkits 2.0.6 | |
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-PDB entries
Showing all 1 items
PDB-5u6i:
Discovery of MLi-2, an Orally Available and Selective LRRK2 Inhibitor that Reduces Brain Kinase Activity