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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL662
CHEMBL662
Compound Name
ChEMBL Synonyms SR-1C9
Max Phase 0
Trade Names
Molecular Formula C5H5NO

Additional synonyms for CHEMBL662 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1ccccn1
Standard InChI InChI=1S/C5H5NO/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)
Standard InChI Key UBQKCCHYAOITMY-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL662

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
95.1 95.0371 0.79 0 33.12 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 2 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.85 .67 .3 1 7 0.52

Structural Alerts

There are no structural alerts for CHEMBL662

Compound Cross References

ChemSpider ChemSpider:UBQKCCHYAOITMY-UHFFFAOYSA-N
Wikipedia 2-Pyridone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL662



ACToR 99010-64-7 72762-00-6 66396-89-2 27341-45-3 109-10-4 142-08-5
Brenda 48125 29392 172027
ChEBI 16540
ChemicalBook CB8137755
eMolecules 521835 969449
EPA CompTox Dashboard DTXSID2051716
FDA SRS 6770O3A2I5
Human Metabolome Database HMDB0013751
IBM Patent System 72E0789C929C3DFEDBB0844892219A6A
KEGG Ligand C02502
Mcule MCULE-3754843987
Metabolights MTBLC16540
MolPort MolPort-000-139-937 MolPort-001-779-837
Nikkaji J13.556I
NMRShiftDB 20027597 10016178
PubChem 8871
PubChem: Thomson Pharma 15119674 15296956
Rhea 16540
SureChEMBL SCHEMBL2355
ZINC ZINC000008737707

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