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Yorodumi- ChemComp-1IX: (~{S})-[2-chloranyl-4-fluoranyl-5-(7-morpholin-4-ylquinazolin-4-y... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 1IX |
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Name | Name: (~{ Synonyms: Nedisertib |
-Chemical information
Composition | Formula: C24H21ClFN5O3 / Number of atoms: 55 / Formula weight: 481.907 / Formal charge: 0 | ||||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: 1IX / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7OTY | ||||||
History |
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External links | UniChem / ChemSpider / BindingDB / ChEMBL / ChemicalBook / DrugBank / GtoPharmacology / PubChem / SureChEMBL / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 3.1.0.0 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 3.1.0.0 | |
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-InChI
InChI 1.06 |
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-InChIKey
InChI 1.06 |
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