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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL374159
CHEMBL374159
Compound Name MALEIC ANHYDRIDE
ChEMBL Synonyms Furan-2,5-dione
Max Phase 0
Trade Names
Molecular Formula C4H2O3

Additional synonyms for CHEMBL374159 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C1OC(=O)C=C1
Standard InChI InChI=1S/C4H2O3/c5-3-1-2-4(6)7-3/h1-2H
Standard InChI Key FPYJFEHAWHCUMM-UHFFFAOYSA-N

Sources

  • Gene Expression Atlas Compounds
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL374159

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
98.1 98.0004 -0.37 0 43.37 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - -.65 -.65 0 7 0.31

Structural Alerts

There are 13 structural alerts for CHEMBL374159. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FPYJFEHAWHCUMM-UHFFFAOYSA-N
PubChem SID: 144207604
Wikipedia Maleic_anhydride

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL374159



ACToR 224641-13-8 108-31-6
BindingDB 7812
Brenda 8132
ChEBI 474859
ChemicalBook CB3188060
eMolecules 496446
EPA CompTox Dashboard DTXSID7024166
FDA SRS V5877ZJZ25
IBM Patent System 301CA7E79A1F95A2E5F6356A26E07A91 5F01E2A963F13A4DDAF005FF74B529E5 C4CDAC61C02D488DE68713E5D7A4A2F4
Mcule MCULE-5322674641
MolPort MolPort-001-783-792
Nikkaji J2.419H
NMRShiftDB 10016809
PubChem 7923
PubChem: Thomson Pharma 15140936
SureChEMBL SCHEMBL191
ZINC ZINC000008100874

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