+Open data
-Basic information
Entry | Database: PDB chemical components / ID: U58 |
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Name | Name: Synonyms: 3-quinazolin-4-ylsulfanylpropanoic acid; 3-(Quinazolin-4-ylthio)propanoic acid; 3-quinazolin-4-ylthiopropanoic acid; 3-(4-quinazolinylsulfanyl)propanoic acid |
-Chemical information
Composition | Formula: C11H10N2O2S / Number of atoms: 26 / Formula weight: 234.274 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: U58 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7BNB | ||||
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 2.0.7 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-PDB entries
Showing all 1 items
PDB-7bnb:
Notum fragment_50 (3-(quinazolin-4-ylsulfanyl)propanoic acid)