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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2347109
CHEMBL2347109
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C12H12N4O2

Additional synonyms for CHEMBL2347109 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES N[C@H]1Cc2nn(cc2N(O)C1=O)c3ccccc3
Standard InChI InChI=1S/C12H12N4O2/c13-9-6-10-11(16(18)12(9)17)7-15(14-10)8 ...
Download InChI
Standard InChI Key LHLQHHDRLPOVCF-VIFPVBQESA-N

Sources

  • BindingDB Database
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2347109

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 0.58 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
8.16 6.35 -.94 -1.02 2 18 0.72

Structural Alerts

There are 2 structural alerts for CHEMBL2347109. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LHLQHHDRLPOVCF-VIFPVBQESA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2347109



BindingDB 50432200
PubChem 71717745
SureChEMBL SCHEMBL15493583
ZINC ZINC000095605262

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