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Yorodumi- ChemComp-IXQ: N-[3-[[[2-(6-chloranyl-5-fluoranyl-1H-benzimidazol-2-yl)pyrimidin... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: IXQ |
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Name | Name: Synonyms: N-(3-{[2-(5-Chloro-6-fluoro-1H-benzoimidazol-2-yl)-pyrimidin-4-ylamino]-methyl}-pyridin-2-yl)-N-methyl-methanesulfonamide |
-Chemical information
Composition | Formula: C19H17ClFN7O2S / Number of atoms: 48 / Formula weight: 461.9 / Formal charge: 0 | ||||||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: IXQ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7ZKS | ||||||||
History |
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External links | UniChem / 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 1.06 |
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-InChIKey
InChI 1.06 |
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