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Yorodumi- ChemComp-9IE: 2-chloranyl-4-[[(2S)-2,7-dimethyl-6-oxidanylidene-1,2,3,4-tetrahy... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 9IE |
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Name | Name: |
-Chemical information
Composition | Formula: C20H18ClN5O2 / Number of atoms: 46 / Formula weight: 395.842 / Formal charge: 0 | ||||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: 9IE / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7Q7U | ||||||
History |
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External links | UniChem / ChemSpider / ChEMBL / PubChem / SureChEMBL / 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 1.06 |
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-InChIKey
InChI 1.06 |
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-PDB entries
Showing all 1 items
PDB-7q7u:
Crystal structure of human BCL6 BTB domain in complex with compound 9a