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Yorodumi- ChemComp-21J: N-(1-{[(5,7-dichloro-2,2-dimethyl-1,3-benzodioxol-4-yl)oxy]acetyl... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 21J |
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Name | Name: |
-Chemical information
Composition | Formula: C18H24Cl2N2O6S / Number of atoms: 53 / Formula weight: 467.364 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 21J / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4M1O | ||||
History |
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External links | UniChem / ChemSpider / PubChem / 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 1.7.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.7.6 | |
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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 1.7.6 | |
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-PDB entries
Showing all 1 items
PDB-4m1o:
Crystal Structure of small molecule vinylsulfonamide 7 covalently bound to K-Ras G12C