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Yorodumi- ChemComp-66K: 4-[(4-methylpiperazin-1-yl)methyl]-N-(4-methyl-3-{[1-(pyridin-3-y... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 66K |
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Name | Name: |
-Chemical information
Composition | Formula: C32H36F3N5O3 / Number of atoms: 79 / Formula weight: 595.655 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 66K / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5HU9 | ||||
History |
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External links | UniChem / ChemSpider / ChEMBL / PubChem / SureChEMBL / ZINC / 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 2.0.4 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.4 | |
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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 2.0.4 | |
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-PDB entries
Showing all 1 items
PDB-5hu9:
Crystal structure of ABL1 in complex with CHMFL-074