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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2032193
CHEMBL2032193
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C21H16F4N2OS

Additional synonyms for CHEMBL2032193 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Fc1ccc(NC(=O)N2CCc3sccc3C2c4ccc(cc4)C(F)(F)F)cc1
Standard InChI InChI=1S/C21H16F4N2OS/c22-15-5-7-16(8-6-15)26-20(28)27-11-9- ...
Download InChI
Standard InChI Key WYNBWGVBDVSVCT-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2032193

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
420.4 420.0919 6.09 2 32.34 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 1 3 1 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.59 .29 6.05 6.05 3 29 0.5

Structural Alerts

There are 1 structural alerts for CHEMBL2032193. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WYNBWGVBDVSVCT-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2032193



BindingDB 50383247
PubChem 57325924
PubChem: Thomson Pharma 136327894

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