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Yorodumi- ChemComp-VHN: (2S)-2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylid... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: VHN |
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Name | Name: ( Synonyms: (2S)-2-[[6-[(2-Chloro-3-cyanopyridin-4-yl)amino]-2-oxo-1H-quinolin-4-yl]amino]-N-methylpropanamide |
-Chemical information
Composition | Formula: C19H17ClN6O2 / Number of atoms: 45 / Formula weight: 396.83 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: VHN / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7OKJ | ||||
History |
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External links | UniChem / ChEMBL / 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-7okj:
Crystal structure of human BCL6 BTB domain in complex with compound 12c and its enantiomer 12b