ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL243087
CHEMBL243087
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C3H3N3O3

Additional synonyms for CHEMBL243087 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1nc(O)nc(O)n1
Standard InChI InChI=1S/C3H3N3O3/c7-1-4-2(8)6-3(9)5-1/h(H3,4,5,6,7,8,9)
Standard InChI Key ZFSLODLOARCGLH-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL243087

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
129.1 129.0174 0.78 0 99.36 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 3 0 6 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
-.12 9.21 .14 -4.36 1 9 0.48

Structural Alerts

There are no structural alerts for CHEMBL243087

Compound Cross References

ChemSpider ChemSpider:ZFSLODLOARCGLH-UHFFFAOYSA-N
PubChem SID: 144209560 SID: 144213509
Wikipedia Cyanuric_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL243087



ACToR 108-80-5 40580-20-9 27026-93-3
Brenda 2998 92978
ChEBI 38028 17696
eMolecules 486479 1012613
EPA CompTox Dashboard DTXSID7024873
FDA SRS H497R4QKTZ
Human Metabolome Database HMDB0041861
IBM Patent System C540D8D08DABEEBEB7E129281808F4E5
KEGG Ligand C06554
Mcule MCULE-2586692744
MolPort MolPort-001-002-844
Nikkaji J2.429E
NMRShiftDB 10016338
PDBe WDL
PubChem 7956
PubChem: Thomson Pharma 15461898 14769342
Rhea 38028
SureChEMBL SCHEMBL20706
ZINC ZINC000018044615

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