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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL28517
CHEMBL28517
Compound Name E927A
ChEMBL Synonyms E927a | NSC-674447
Max Phase 0
Trade Names
Molecular Formula C2H4N4O2

Additional synonyms for CHEMBL28517 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(=O)N=NC(=O)N
Standard InChI InChI=1S/C2H4N4O2/c3-1(7)5-6-2(4)8/h(H2,3,7)(H2,4,8)/b6-5+
Standard InChI Key XOZUGNYVDXMRKW-AATRIKPKSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL28517

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
116.1 116.0334 0.19 0 110.9 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 6 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.9 - -1.05 -1.05 0 8 0.44

Structural Alerts

There are 5 structural alerts for CHEMBL28517. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XOZUGNYVDXMRKW-AATRIKPKSA-N
PubChem SID: 17389172
Wikipedia Azodicarbonamide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL28517



ACToR 123-77-3
Brenda 170062
eMolecules 479143
FDA SRS 56Z28B9C8O
Human Metabolome Database HMDB0029616
Nikkaji J3.621H
PubChem 5462814
PubChem: Thomson Pharma 15119801
SureChEMBL SCHEMBL26646
ZINC ZINC000012404985

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