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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL19732
CHEMBL19732
Compound Name CGS-8216
ChEMBL Synonyms CGS-8216
Max Phase 0
Trade Names
Molecular Formula C16H11N3O

Additional synonyms for CHEMBL19732 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C1C2C=Nc3ccccc3C2=NN1c4ccccc4
Standard InChI InChI=1S/C16H11N3O/c20-16-13-10-17-14-9-5-4-8-12(14)15(13)18 ...
Download InChI
Standard InChI Key QUUNMICPMYIHFS-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL19732

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
261.3 261.0902 2.77 1 45.03 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 1.61 1.67 1.67 2 20 0.78

Structural Alerts

There are 1 structural alerts for CHEMBL19732. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QUUNMICPMYIHFS-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL19732



PubChem 44273038

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