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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2347108
CHEMBL2347108
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C12H12N4O2

Additional synonyms for CHEMBL2347108 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES N[C@H]1Cc2cn(nc2N(O)C1=O)c3ccccc3
Standard InChI InChI=1S/C12H12N4O2/c13-10-6-8-7-15(9-4-2-1-3-5-9)14-11(8)16 ...
Download InChI
Standard InChI Key AUAOKUNOKVGYJP-JTQLQIEISA-N

Sources

  • BindingDB Database
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2347108

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
244.3 244.096 0.98 1 84.38 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 6 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.12 6.62 -.51 -.62 2 18 0.73

Structural Alerts

There are 2 structural alerts for CHEMBL2347108. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:AUAOKUNOKVGYJP-JTQLQIEISA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2347108



BindingDB 107730
PubChem 67813781
SureChEMBL SCHEMBL9280114
ZINC ZINC000095602994

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