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Yorodumi- ChemComp-623: 3,3'-[3,5-DIFLUORO-4-METHYL-2,6-PYRIDYLENEBIS(OXY)]-BIS(BENZENECA... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 623 |
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Name | Name: Synonyms: ZK-805623 |
-Chemical information
Composition | Formula: C20H18F2N5O2 / Number of atoms: 47 / Formula weight: 398.386 / Formal charge: 1 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 623 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 1QB6 | ||||||
History |
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External links | UniChem / DrugBank / PubChem / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 10.04 | CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | [ | |
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-SMILES CANONICAL
CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | [ | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 10.04 | OpenEye OEToolkits 1.5.0 | |
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-PDB entries
Showing all 1 items
PDB-1qb6:
BOVINE TRYPSIN 3,3'-[3,5-DIFLUORO-4-METHYL-2, 6-PYRIDINEDIYLBIS(OXY)]BIS(BENZENECARBOXIMIDAMIDE) (ZK-805623) COMPLEX