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Yorodumi- ChemComp-J9O: 2-[(1S)-1-[4-[2-(4-chloranylphenoxy)ethanoyl]piperazin-1-yl]ethyl... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: J9O |
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Name | Name: |
-Chemical information
Composition | Formula: C30H31ClN4O4 / Number of atoms: 70 / Formula weight: 547.045 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: J9O / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7EPZ | ||||
History |
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External links | UniChem / PubChem / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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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-7epz:
Overall structure of Erastin-bound xCT-4F2hc complex