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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1378094
CHEMBL1378094
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H11FN2O2S

Additional synonyms for CHEMBL1378094 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1nc2ccccc2n1S(=O)(=O)c3ccc(F)cc3
Standard InChI InChI=1S/C14H11FN2O2S/c1-10-16-13-4-2-3-5-14(13)17(10)20(18, ...
Download InChI
Standard InChI Key SMGZHCSEIBBFEJ-UHFFFAOYSA-N

Sources

  • BindingDB Database
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1378094

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
290.3 290.0525 2.72 2 51.96 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 1.27 3.23 3.23 3 20 0.73

Structural Alerts

There are no structural alerts for CHEMBL1378094

Compound Cross References

ChemSpider ChemSpider:SMGZHCSEIBBFEJ-UHFFFAOYSA-N
PubChem SID: 49676662

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1378094



BindingDB 50447056
eMolecules 2252838
Mcule MCULE-7804651528
MolPort MolPort-001-491-609
Nikkaji J3.367.242J
PDBe 1DD
PubChem 804705
SureChEMBL SCHEMBL16912860
ZINC ZINC000000313624

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