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Yorodumi- ChemComp-79S: (2~{S})-2-cyano-~{N},~{N}-dimethyl-3-[5-[3-[(1~{S},2~{R})-2-methy... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 79S |
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Name | Name: ( |
-Chemical information
Composition | Formula: C25H28N6O2 / Number of atoms: 61 / Formula weight: 444.529 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 79S / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5LWN | ||||
History |
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External links | UniChem / ChemSpider / PubChem / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.5 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.5 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
OpenEye OEToolkits 2.0.5 | ( |
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-PDB entries
Showing all 1 items
PDB-5lwn:
Crystal structure of JAK3 in complex with Compound 5 (FM409)