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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2059723
CHEMBL2059723
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H28FNO3S

Additional synonyms for CHEMBL2059723 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc2CCN(CC(O)CSc3ccc(F)cc3)C(c4ccccc4)c2cc1OC
Standard InChI InChI=1S/C26H28FNO3S/c1-30-24-14-19-12-13-28(16-21(29)17-32- ...
Download InChI
Standard InChI Key FSESYEMXAXXWSH-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2059723

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
453.6 453.1774 4.94 8 41.93 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.85 6.37 3.69 3.65 3 32 0.49

Structural Alerts

There are no structural alerts for CHEMBL2059723

Compound Cross References

ChemSpider ChemSpider:FSESYEMXAXXWSH-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2059723



PubChem 70694792

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