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Yorodumi- ChemComp-70R: (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)e... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 70R |
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Name | Name: (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(5-fluoranylfuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-[2,2,2-tris(fluoranyl)ethyl]pyrazol-3-yl]methoxy] ...Name: ( |
-Chemical information
Composition | Formula: C39H37ClF4N6O6S / Number of atoms: 94 / Formula weight: 829.259 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 70R / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5LOF | ||||
History |
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External links | UniChem / ChemSpider / BindingDB / ChEMBL / ChemicalBook / Nikkaji / PubChem / SureChEMBL / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.5 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.5 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
OpenEye OEToolkits 2.0.5 | ( |
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-PDB entries
Showing all 1 items
PDB-5lof:
Crystal structure of the MBP-MCL1 complex with highly selective and potent inhibitor of MCL1