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Yorodumi- ChemComp-9JL: (4S)-8-{4-[(dimethylamino)methyl]-2-methylphenyl}-5-{[(5-fluoro-2... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 9JL |
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Name | Name: ( Synonyms: MRTX-2219 |
-Chemical information
Composition | Formula: C26H25FN6O / Number of atoms: 59 / Formula weight: 456.515 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: 9JL / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7SI4 | ||||
History |
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External links | UniChem / BindingDB / PubChem / 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-7si4:
CRYSTAL STRUCTURE OF EED WITH MRTX-2219