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GtoPdb Ligand ID: 1595

Synonyms: AY-25712 | D02753 | reductol
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 63.6
Molecular weight 218.06
XLogP 1.64
No. Lipinski's rules broken 0
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Canonical SMILES OC(=O)C1=CC(=O)C(O1)(C)c1ccccc1
Isomeric SMILES OC(=O)C1=CC(=O)C(O1)(C)c1ccccc1
InChI InChI=1S/C12H10O4/c1-12(8-5-3-2-4-6-8)10(13)7-9(16-12)11(14)15/h2-7H,1H3,(H,14,15)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
5-methyl-4-oxo-5-phenylfuran-2-carboxylic acid
International Nonproprietary Names Click here for help
INN number INN
5515 acifran
Synonyms Click here for help
AY-25712 | D02753 | reductol
Database Links Click here for help
Specialist databases
GPCRdb Ligand acifran
Other databases
BindingDB Ligand 50208138
CAS Registry No. 72420-38-3 (source: Scifinder)
ChEMBL Ligand CHEMBL278488
GtoPdb PubChem SID 135649889
PubChem CID 51576
Search Google for chemical match using the InChIKey DFDGRKNOFOJBAJ-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey DFDGRKNOFOJBAJ-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey DFDGRKNOFOJBAJ-UHFFFAOYSA-N
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Cat. No. 1762