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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL167667
CHEMBL167667
Compound Name ETHYL NITROSOUREA
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C3H7N3O2

Additional synonyms for CHEMBL167667 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN(N=O)C(=O)N
Standard InChI InChI=1S/C3H7N3O2/c1-2-6(5-8)3(4)7/h2H2,1H3,(H2,4,7)
Standard InChI Key FUSGACRLAFQQRL-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL167667

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
117.1 117.0538 0.01 2 75.76 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.32 - .21 .21 0 8 0.41

Structural Alerts

There are 11 structural alerts for CHEMBL167667. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FUSGACRLAFQQRL-UHFFFAOYSA-N
PubChem SID: 144209349 SID: 144213066 SID: 17389888
Wikipedia ENU

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL167667



ACToR 759-73-9 2151-05-5
Brenda 51646
ChEBI 23995
eMolecules 592641
EPA CompTox Dashboard DTXSID8020593
FDA SRS P8M1T4190R
IBM Patent System 307386AA534535B368CAC791590E9636
KEGG Ligand C19178
MolPort MolPort-003-849-574
Nikkaji J3.321I
PubChem 12967
PubChem: Thomson Pharma 15461857
SureChEMBL SCHEMBL77485
ZINC ZINC000004804054

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