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Yorodumi- ChemComp-50I: 3-azanyl-5-(azepan-1-yl)-6-(1-benzofuran-2-yl)-Ncarbamimidoyl-pyr... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 50I |
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Name | Name: |
-Chemical information
Composition | Formula: C20H23N7O2 / Number of atoms: 52 / Formula weight: 393.442 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 50I / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5ZA9 | ||||
History |
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External links | UniChem / ChemSpider / BindingDB / ChEMBL / PubChem / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | [ | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
OpenEye OEToolkits 2.0.6 |
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