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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2420550
CHEMBL2420550
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H13ClFNO3S

Additional synonyms for CHEMBL2420550 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1F
Standard InChI InChI=1S/C15H13ClFNO3S/c1-22(20,21)14-9-11(6-7-13(14)17)18-1 ...
Download InChI
Standard InChI Key WDKOZUZJQIVTGI-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2420550

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
341.8 341.0289 3.06 4 63.24 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.34 - 2.3 2.3 2 22 0.93

Structural Alerts

There are no structural alerts for CHEMBL2420550

Compound Cross References

ChemSpider ChemSpider:WDKOZUZJQIVTGI-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2420550



BindingDB 50439414
PubChem 72165072
ZINC ZINC000096283175

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