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Yorodumi- ChemComp-S7T: 4-acetyl-3-ethyl-N-(3-(3-(hydroxyamino)-3-oxopropyl)phenyl)-5-met... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: S7T |
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Name | Name: Synonyms: 4-ethanoyl-3-ethyl-5-methyl-~{N}-[3-[3-(oxidanylamino)-3-oxidanylidene-propyl]phenyl]-1~{H}-pyrrole-2-carboxamide |
-Chemical information
Composition | Formula: C19H23N3O4 / Number of atoms: 49 / Formula weight: 357.404 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: S7T / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7AXR | ||||
History |
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External links | UniChem / ChemSpider / ChEMBL / 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 1.03 |
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-InChIKey
InChI 1.03 |
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-PDB entries
Showing all 1 items
PDB-7axr:
Crystal structure of BRD4(1) bound to the dual BET-HDAC inhibitor LSH24