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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3314849
CHEMBL3314849
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H12N6O2

Additional synonyms for CHEMBL3314849 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1ccnc(c1)C(=O)Nc2cncc(Oc3cncnc3)n2
Standard InChI InChI=1S/C15H12N6O2/c1-10-2-3-19-12(4-10)15(22)21-13-7-16-8- ...
Download InChI
Standard InChI Key BELGVHQQEKZTAT-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3314849

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
308.3 308.1022 2.01 4 102.78 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 1 0 8 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.02 2.54 1.88 1.88 3 23 0.79

Structural Alerts

There are no structural alerts for CHEMBL3314849

Compound Cross References

ChemSpider ChemSpider:BELGVHQQEKZTAT-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3314849



BindingDB 50047701
PubChem 118707825
ZINC ZINC000299823907

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