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Yorodumi- ChemComp-94K: ~{N}-[(1~{R})-2-azanyl-1-phenyl-ethyl]-5-(2-chlorophenyl)-2-methy... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 94K |
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Name | Name: ~{ |
-Chemical information
Composition | Formula: C20H19ClN2OS / Number of atoms: 44 / Formula weight: 370.896 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 94K / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5NPP | ||||
History |
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External links | UniChem / BindingDB / ChEMBL / PubChem / ChemSpider / 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-5npp:
2.22A STRUCTURE OF THIOPHENE2 AND GSK945237 WITH S.AUREUS DNA GYRASE AND DNA