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Yorodumi- ChemComp-I47: 2-{4-[5-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-3-yl]piperid... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: I47 |
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Name | Name: |
-Chemical information
Composition | Formula: C20H20ClN5O2 / Number of atoms: 48 / Formula weight: 397.858 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: I47 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3HL7 | ||||||
History |
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External links | BindingDB / UniChem / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DrugBank / PubChem / PubChem_TPharma / SureChEMBL / ZINC / 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-3hl7:
Crystal Structure of Human p38alpha complexed with SD-0006