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Yorodumi- ChemComp-7S4: N-{(1R)-1-[N''-cyano-N'-(quinolin-5-yl)carbamimidamido]-2,2-dimet... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 7S4 |
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Name | Name: Synonyms: antagonist A740003 |
-Chemical information
Composition | Formula: C26H30N6O3 / Number of atoms: 65 / Formula weight: 474.555 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 7S4 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5U1U | ||||||
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
ACDLabs 12.01 | 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
ACDLabs 12.01 | OpenEye OEToolkits 2.0.6 | ~{ | |
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-PDB entries
Showing all 1 items
PDB-5u1u:
Crystal structure of the ATP-gated P2X7 ion channel bound to allosteric antagonist A740003