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Yorodumi- ChemComp-YIS: 1-[3-tert-butyl-1-(3-chloro-4-hydroxyphenyl)-1H-pyrazol-5-yl]-3-{... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: YIS |
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Name | Name: |
-Chemical information
Composition | Formula: C35H34ClN7O3S2 / Number of atoms: 82 / Formula weight: 700.273 / Formal charge: 0 | ||||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: YIS / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2YIS | ||||||
History |
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External links | UniChem / ChemSpider / BindingDB / ChEMBL / CompTox / DrugBank / GtoPharmacology / PubChem / PubChem_TPharma / SureChEMBL / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.370 | OpenEye OEToolkits 1.7.2 | |
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-SMILES CANONICAL
CACTVS 3.370 | OpenEye OEToolkits 1.7.2 | |
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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 1.7.2 | |
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-PDB entries
Showing all 1 items
PDB-2yis:
triazolopyridine inhibitors of p38 kinase.