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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL351657
CHEMBL351657
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H25FN2O4S

Additional synonyms for CHEMBL351657 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)CCC\C=C(\c1cccnc1)/c2cccc(CCNS(=O)(=O)c3ccc(F)cc3)c2
Standard InChI InChI=1S/C25H25FN2O4S/c26-22-10-12-23(13-11-22)33(31,32)28-1 ...
Download InChI
Standard InChI Key POPJWIHAKVJLHO-KTZMUZOWSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL351657

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
468.6 468.1519 4.43 11 96.36 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 6 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.66 5.16 3.57 .89 3 33 0.41

Structural Alerts

There are 3 structural alerts for CHEMBL351657. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:POPJWIHAKVJLHO-KTZMUZOWSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL351657



BindingDB 50391322
PubChem 44374845
ZINC ZINC000027749868

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