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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL8211
CHEMBL8211
Compound Name N-ETHYLMALEIMIDE
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C6H7NO2

Additional synonyms for CHEMBL8211 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN1C(=O)C=CC1=O
Standard InChI InChI=1S/C6H7NO2/c1-2-7-5(8)3-4-6(7)9/h3-4H,2H2,1H3
Standard InChI Key HDFGOPSGAURCEO-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL8211

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
125.1 125.0477 0.16 1 37.38 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 0 0 3 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - .81 .81 0 9 0.47

Structural Alerts

There are 5 structural alerts for CHEMBL8211. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HDFGOPSGAURCEO-UHFFFAOYSA-N
PubChem SID: 11111152 SID: 50106270 SID: 85231035 SID: 90341440
Wikipedia N-Ethylmaleimide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL8211



ACToR 128-53-0 25668-22-8
BindingDB 50220832
Brenda 55961 36451 21252 57762 49 89 101118 147263
ChEBI 44485
DrugBank DB02967
eMolecules 475873
EPA CompTox Dashboard DTXSID1059573
FDA SRS O3C74ACM9V
Guide to Pharmacology 5335
IBM Patent System ABF145A2E1631DCB43A22079212A1CAE
KEGG Ligand C02441
LINCS LSM-4219
Mcule MCULE-9216989340
MolPort MolPort-000-385-055
Nikkaji J21.254G
NMRShiftDB 10009837
PDBe NEQ
PubChem 4362
PubChem: Thomson Pharma 15218920
Rhea 44485
SureChEMBL SCHEMBL19666
ZINC ZINC000000901367

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