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Yorodumi- ChemComp-828: N-(3-chloropyridin-4-yl)-2-{3-[3-(1-methyl-1H-pyrazol-4-yl)prop-2... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 828 |
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Name | Name: |
-Chemical information
Composition | Formula: C22H19ClN8O4S / Number of atoms: 55 / Formula weight: 526.955 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: 828 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7RV2 | ||||
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
ACDLabs 12.01 | 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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-SYSTEMATIC NAME
ACDLabs 12.01 | OpenEye OEToolkits 2.0.7 | ~{ | |
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-PDB entries
Showing all 1 items
PDB-7rv2:
Crystal structure of the BCL6 BTB domain in complex with OICR-8828