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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2347107
CHEMBL2347107
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C13H14N4O2

Additional synonyms for CHEMBL2347107 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES N[C@H]1Cc2cn(Cc3ccccc3)nc2N(O)C1=O
Standard InChI InChI=1S/C13H14N4O2/c14-11-6-10-8-16(7-9-4-2-1-3-5-9)15-12(1 ...
Download InChI
Standard InChI Key YEHNWRNMGIYLAL-NSHDSACASA-N

Sources

  • BindingDB Database
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2347107

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
258.3 258.1117 0.54 2 84.38 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 6 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.18 6.78 -1.02 -1.15 2 19 0.77

Structural Alerts

There are 2 structural alerts for CHEMBL2347107. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YEHNWRNMGIYLAL-NSHDSACASA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2347107



BindingDB 107746
PubChem 67962992
SureChEMBL SCHEMBL9912514

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