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Yorodumi- ChemComp-4O0: 3-({6-chloro-7-fluoro-2-methyl-1-[2-oxo-2-(spiro[cyclopropane-1,3... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 4O0 |
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Name | Name: |
-Chemical information
Composition | Formula: C28H21ClF2N2O3S / Number of atoms: 58 / Formula weight: 538.993 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 4O0 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4ZG7 | ||||
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 1.9.2 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.9.2 | |
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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 1.9.2 | |
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-PDB entries
Showing all 1 items
PDB-4zg7:
Structural basis for inhibition of human autotaxin by four novel compounds