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Yorodumi- ChemComp-MDI: 3-[bis(fluoranyl)methyl]-~{N}-methyl-~{N}-[(1~{R})-8-methyl-5-(3-... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: MDI |
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Name | Name: |
-Chemical information
Composition | Formula: C27H26F2N4O / Number of atoms: 60 / Formula weight: 460.518 / Formal charge: 0 | ||||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: MDI / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8ANS | ||||||
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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