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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL509350
CHEMBL509350
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H13FN4

Additional synonyms for CHEMBL509350 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Fc1ccc(c2ccn[nH]2)c(c1)C3Cc4nccn4C3
Standard InChI InChI=1S/C15H13FN4/c16-11-1-2-12(14-3-4-18-19-14)13(8-11)10- ...
Download InChI
Standard InChI Key FRRVMSCOMUYFGM-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL509350

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
268.3 268.1124 2.75 2 46.5 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.99 7.35 2.35 2.08 3 20 0.78

Structural Alerts

There are no structural alerts for CHEMBL509350

Compound Cross References

ChemSpider ChemSpider:FRRVMSCOMUYFGM-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL509350



BindingDB 50258642
PubChem 44574136

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