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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

Structural Alerts

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

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

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
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
SureChEMBL SCHEMBL10990
ZINC ZINC05133132

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