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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL387762
CHEMBL387762
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C4H3NO2

Additional synonyms for CHEMBL387762 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C1NC(=O)C=C1
Standard InChI InChI=1S/C4H3NO2/c6-3-1-2-4(7)5-3/h1-2H,(H,5,6,7)
Standard InChI Key PEEHTFAAVSWFBL-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL387762

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
97.1 97.0164 -0.4 0 46.17 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.52 - -.29 -.32 0 7 0.42

Structural Alerts

There are 5 structural alerts for CHEMBL387762. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PEEHTFAAVSWFBL-UHFFFAOYSA-N
PubChem SID: 144210124 SID: 57264359
Wikipedia Maleimide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL387762



ACToR 541-59-3
BindingDB 7802
Brenda 3824
ChEBI 16072
eMolecules 480385
EPA CompTox Dashboard DTXSID3049417
FDA SRS 2519R1UGP8
IBM Patent System 0D671F929A7650357B94B0DBB557C6C4 766045D55E58438C0266E6D6E4E847F5 10F747A80EDA36E50A12688337EA38E7
KEGG Ligand C07272
Mcule MCULE-3677915339
MolPort MolPort-001-768-959
Nikkaji J6.395I
NMRShiftDB 10016180
PubChem 10935
PubChem: Thomson Pharma 15146359
Rhea 16072
SureChEMBL SCHEMBL10990
ZINC ZINC000005133132

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