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Yorodumi- ChemComp-871: 2-(5-Hydroxy-4-(isoindoline-2-carbonyl)-2-isopropylphenyl)acetonitrile -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 871 |
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Name | Name: Synonyms: [4-(1,3-dihydro-2H-isoindole-2-carbonyl)-5-hydroxy-2-(propan-2-yl)phenyl]acetonitrile |
-Chemical information
Composition | Formula: C20H20N2O2 / Number of atoms: 44 / Formula weight: 320.385 / Formal charge: 0 | ||||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 871 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5UCH | ||||||||
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-5uch:
Hsp90b N-terminal domain with inhibitors