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ChEMBL Statistics
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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 -1.01 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 0.41

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 163791 2998 92978
ChEBI 38028 17696
ChemicalBook CB5852763
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
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