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- ChemComp-JBF: 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: JBF
NameName: 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
Commentmedication*YM

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Chemical information

Composition
Formula: C15H9FN2O3 / Number of atoms: 30 / Formula weight: 284.242 / Formal charge: 0
Others

7erb

Type: non-polymer / PDB classification: HETAIN / Three letter code: JBF / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7ERB
History
Create componentMay 12, 2021
Initial releaseJan 19, 2022
External linksUniChem / ChemSpider / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DrugBank / GtoPharmacology / HMDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385OC(=O)c1cccc(c1)c2noc(n2)c3ccccc3F
OpenEye OEToolkits 2.0.7c1ccc(c(c1)c2nc(no2)c3cccc(c3)C(=O)O)F

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SMILES CANONICAL

CACTVS 3.385OC(=O)c1cccc(c1)c2noc(n2)c3ccccc3F
OpenEye OEToolkits 2.0.7c1ccc(c(c1)c2nc(no2)c3cccc(c3)C(=O)O)F

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InChI

InChI 1.03InChI=1S/C15H9FN2O3/c16-12-7-2-1-6-11(12)14-17-13(18-21-14)9-4-3-5-10(8-9)15(19)20/h1-8H,(H,19,20)

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InChIKey

InChI 1.03OOUGLTULBSNHNF-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-7erb:
Crystal structure of human Biliverdin IX-beta reductase B with Ataluren (PTC)

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