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Yorodumi- ChemComp-94Z: 3-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxidanylidene-butanoyl... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 94Z |
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Name | Name: |
-Chemical information
Composition | Formula: C21H23FN4O3 / Number of atoms: 52 / Formula weight: 398.431 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 94Z / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5NQE | ||||
History |
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External links | UniChem / PubChem / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
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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
OpenEye OEToolkits 2.0.6 |
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-PDB entries
Showing all 1 items
PDB-5nqe:
Human PARP14 (ARTD8), catalytic fragment in complex with an N-aryl piperazine inhibitor