ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2426167
CHEMBL2426167
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H12FN5OS

Additional synonyms for CHEMBL2426167 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cc(NC(=O)Nc2nnc(s2)c3ccncc3)ccc1F
Standard InChI InChI=1S/C15H12FN5OS/c1-9-8-11(2-3-12(9)16)18-14(22)19-15-21 ...
Download InChI
Standard InChI Key RQLLFUCCUVJQRT-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2426167

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
329.4 329.0747 3.69 3 79.8 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 6 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
6.78 1.6 3.36 2.43 3 23 0.77

Structural Alerts

There are no structural alerts for CHEMBL2426167

Compound Cross References

ChemSpider ChemSpider:RQLLFUCCUVJQRT-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2426167



BindingDB 50440530
PubChem 49852232
ZINC ZINC000096284279

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