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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1554193
CHEMBL1554193
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C18H19FN2O4S

Additional synonyms for CHEMBL1554193 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Fc1ccc(CNC(=O)c2cccc(c2)S(=O)(=O)N3CCOCC3)cc1
Standard InChI InChI=1S/C18H19FN2O4S/c19-16-6-4-14(5-7-16)13-20-18(22)15-2- ...
Download InChI
Standard InChI Key AAZULRUFJCEWGU-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1554193

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
378.4 378.105 1.78 5 75.71 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 6 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.53 - 2.14 2.14 2 26 0.86

Structural Alerts

There are 1 structural alerts for CHEMBL1554193. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:AAZULRUFJCEWGU-UHFFFAOYSA-N
PubChem SID: 57268424

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1554193



eMolecules 3476559
Mcule MCULE-7318425147
MolPort MolPort-004-104-228
PubChem 2712753
ZINC ZINC000003613560

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