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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 1.18 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 1 1 10 0.57

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
ChemicalBook CB6160645
eMolecules 522815
EPA CompTox Dashboard DTXSID80870389
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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