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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL294360
CHEMBL294360
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H13FN4O

Additional synonyms for CHEMBL294360 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Fc1ccc(cc1)C(C2Cc3ccccc3O2)n4cnnn4
Standard InChI InChI=1S/C16H13FN4O/c17-13-7-5-11(6-8-13)16(21-10-18-19-20-2 ...
Download InChI
Standard InChI Key PDOGIGFHXSTRLH-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL294360

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
296.3 296.1073 2.41 3 52.83 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 0 0 5 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- .49 3.67 3.67 3 22 0.74

Structural Alerts

There are no structural alerts for CHEMBL294360

Compound Cross References

ChemSpider ChemSpider:PDOGIGFHXSTRLH-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL294360



BindingDB 50079817
PubChem 44306493

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