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Yorodumi- ChemComp-J2I: 2-(2,6-difluoro-4-methoxyphenyl)-1-(4-{4-[(3-methyl-1H-pyrazol-5-... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: J2I |
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Name | Name: |
-Chemical information
Composition | Formula: C23H24F2N8O2 / Number of atoms: 59 / Formula weight: 482.486 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: J2I / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3Q32 | ||||||
History |
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External links | BindingDB / UniChem / ChEMBL / PubChem / PubChem_TPharma / SureChEMBL / ZINC / ChemSpider / 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 1.7.0 | |
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-SMILES CANONICAL
CACTVS 3.370 | OpenEye OEToolkits 1.7.0 | |
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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 1.7.0 | |
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-PDB entries
Showing all 1 items
PDB-3q32:
Structure of Janus kinase 2 with a pyrrolotriazine inhibitor