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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL237847
CHEMBL237847
Compound Name
ChEMBL Synonyms SR-1C8
Max Phase 0
Trade Names
Molecular Formula C5H5NO

Additional synonyms for CHEMBL237847 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1cccnc1
Standard InChI InChI=1S/C5H5NO/c7-5-2-1-3-6-4-5/h1-4,7H
Standard InChI Key GRFNBEZIAWKNCO-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL237847

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 0.44 0 33.12 NEUTRAL


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
9.15 4.67 .05 -.01 1 7 0.51

Structural Alerts

There are no structural alerts for CHEMBL237847

Compound Cross References

ChemSpider ChemSpider:GRFNBEZIAWKNCO-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL237847



ACToR 109-00-2
BindingDB 50225189
Brenda 107148 13128
ChEBI 87440
eMolecules 521853
EPA CompTox Dashboard DTXSID1051563
FDA SRS 4KBE4P5B6S
IBM Patent System B3F342B205D27A0722E8AB4DB4230977
Mcule MCULE-3642491076
MolPort MolPort-000-140-030
Nikkaji J94.858F J1.202.743E
NMRShiftDB 10024217
PDBe 71A
PubChem 7971
PubChem: Thomson Pharma 15170423
SureChEMBL SCHEMBL60851
ZINC ZINC000000967325

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