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Yorodumi- ChemComp-7CR: [3,5-bis(chloranyl)phenyl]methyl 4-[(3~{R})-3-oxidanyl-3-(2-oxida... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 7CR |
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Name | Name: [ |
-Chemical information
Composition | Formula: C22H23Cl2N3O5 / Number of atoms: 55 / Formula weight: 480.341 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 7CR / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5M0E | ||||
History |
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External links | UniChem / ChemSpider / PubChem / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
OpenEye OEToolkits 2.0.6 | [ |
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-PDB entries
Showing all 1 items
PDB-5m0e:
Structure-based evolution of a hybrid steroid series of Autotaxin inhibitors