ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1684519
CHEMBL1684519
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C22H17FN4O2S

Additional synonyms for CHEMBL1684519 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1ccc2cc([nH]c2c1)c3n[nH]c4ccc(NS(=O)(=O)c5cccc(F)c5)cc34
Standard InChI InChI=1S/C22H17FN4O2S/c1-13-5-6-14-10-21(24-20(14)9-13)22-18 ...
Download InChI
Standard InChI Key WQDGGGUMBKOFQQ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1684519

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
420.5 420.1056 4.96 4 90.64 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 3 0 6 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.97 1.06 3.59 3.53 5 30 0.38

Structural Alerts

There are 1 structural alerts for CHEMBL1684519. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WQDGGGUMBKOFQQ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1684519



BindingDB 50338052
ZINC ZINC000066138503

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