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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL278980
CHEMBL278980
Compound Name FURAN
ChEMBL Synonyms Furan
Max Phase 0
Trade Names
Molecular Formula C4H4O

Additional synonyms for CHEMBL278980 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES o1cccc1
Standard InChI InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H
Standard InChI Key YLQBMQCUIZJEEH-UHFFFAOYSA-N

Sources

  • DrugMatrix
  • Gene Expression Atlas Compounds
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL278980

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
68.1 68.0262 0.93 0 13.14 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
0 0 0 1 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 1.74 1.74 1 5 0.43

Structural Alerts

There are no structural alerts for CHEMBL278980

Compound Cross References

ChemSpider ChemSpider:YLQBMQCUIZJEEH-UHFFFAOYSA-N
PubChem SID: 144208118 SID: 17389874
Wikipedia Furan

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL278980



ACToR 110-00-9
Atlas furan
Brenda 20727
ChEBI 35559
eMolecules 486495
EPA CompTox Dashboard DTXSID6020646
FDA SRS UC0XV6A8N9
Human Metabolome Database HMDB13785
IBM Patent System B7EA7B5A1210735DC2D125908CB6E730
KEGG Ligand C14275
LINCS LSM-37156
Mcule MCULE-6076190179
MolPort MolPort-001-779-783
Nikkaji J2.443K
NMRShiftDB 10016214
PubChem 8029
PubChem: Thomson Pharma 14915910
SureChEMBL SCHEMBL315
ZINC ZINC000002041074

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/YLQBMQCUIZJEEH-UHFFFAOYSA-N spacer
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