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Yorodumi- ChemComp-4OT: [5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]{(2S)-2-[(5-phenyl-... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 4OT |
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Name | Name: [ |
-Chemical information
Composition | Formula: C24H21FN4O2S / Number of atoms: 53 / Formula weight: 448.513 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 4OT / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4ZJC | ||||
History |
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External links | UniChem / ChemSpider / BindingDB / ChEMBL / CompTox / GtoPharmacology / Nikkaji / PubChem / PubChem_TPharma / 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-4zjc:
Structures of the human OX1 orexin receptor bound to selective and dual antagonists