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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL40823
CHEMBL40823
Compound Name OXINDOLE
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C8H7NO

Additional synonyms for CHEMBL40823 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C1Cc2ccccc2N1
Standard InChI InChI=1S/C8H7NO/c10-8-5-6-3-1-2-4-7(6)9-8/h1-4H,5H2,(H,9,10)
Standard InChI Key JYGFTBXVXVMTGB-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL40823

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
133.2 133.0528 0.82 0 29.1 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- .87 1.01 1.01 1 10 0.56

Structural Alerts

There are no structural alerts for CHEMBL40823

Compound Cross References

ChemSpider ChemSpider:JYGFTBXVXVMTGB-UHFFFAOYSA-N
Wikipedia Oxindole

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL40823



ACToR 59-48-3
BindingDB 50434120
Brenda 49317 104627 15212 69672
ChEBI 31697
eMolecules 522815
FDA SRS 0S9338U62H
Human Metabolome Database HMDB0061918
IBM Patent System B82A52DFE4B6C186C08C01C2551A18CE
KEGG Ligand C12312
Mcule MCULE-2638897351
MolPort MolPort-000-147-054
Nikkaji J1.393E
NMRShiftDB 89630
PubChem 321710
PubChem: Thomson Pharma 14891524
Rhea 31697
SureChEMBL SCHEMBL19504
ZINC ZINC000002020050

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