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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

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 0.98 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 72762-00-6 99010-64-7 27341-45-3 66396-89-2 109-10-4 142-08-5
ChEBI 16540
eMolecules 521835 969449
EPA CompTox Dashboard DTXSID2051716
FDA SRS 6770O3A2I5
Human Metabolome Database HMDB13751
IBM Patent System 72E0789C929C3DFEDBB0844892219A6A
KEGG Ligand C02502
Mcule MCULE-3754843987
MolPort MolPort-000-139-937 MolPort-001-779-837
Nikkaji J13.556I
NMRShiftDB 20027597 10016178
PubChem 8871
PubChem: Thomson Pharma 15119674 15296956
SureChEMBL SCHEMBL2355
ZINC ZINC08737707

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