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Yorodumi- ChemComp-874: (2,4-Dihydroxy-3-(hydroxymethyl)-5-isopropylphenyl)(isoindolin-2-... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 874 |
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Name | Name: ( Synonyms: (1,3-dihydro-2H-isoindol-2-yl)[2,4-dihydroxy-3-(hydroxymethyl)-5-(propan-2-yl)phenyl]methanone |
-Chemical information
Composition | Formula: C19H21NO4 / Number of atoms: 45 / Formula weight: 327.374 / Formal charge: 0 | ||||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 874 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5UCI | ||||||||
History |
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External links | UniChem / BindingDB / 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-5uci:
Hsp90b N-terminal domain with inhibitors