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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL519939
CHEMBL519939
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H15FN6O

Additional synonyms for CHEMBL519939 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)Nc1nc(c2ccc(F)c(C)n2)c([nH]1)c3ccc4nccnc4c3
Standard InChI InChI=1S/C19H15FN6O/c1-10-13(20)4-6-15(23-10)18-17(25-19(26- ...
Download InChI
Standard InChI Key TYPILNNEZPSNTI-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL519939

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
362.4 362.1291 3.49 3 96.45 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 7 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.76 1.58 1.17 1.01 4 27 0.58

Structural Alerts

There are no structural alerts for CHEMBL519939

Compound Cross References

ChemSpider ChemSpider:TYPILNNEZPSNTI-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL519939



BindingDB 50255179
DrugBank DB07152
EPA CompTox Dashboard DTXSID30648833
PDBe 55F
PubChem 25138294
ZINC ZINC000039716195

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