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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL43723
CHEMBL43723
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H36FN3O3S2

Additional synonyms for CHEMBL43723 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)(C)COc1cc(ccc1C\N=C(/S)\NCc2ccc(NS(=O)(=O)C)c(F)c2)C(C) ...
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Standard InChI InChI=1S/C25H36FN3O3S2/c1-24(2,3)16-32-22-13-19(25(4,5)6)10- ...
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Standard InChI Key HJGAZEZOYHABKE-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL43723

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
509.7 509.2182 5.79 11 126.97 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 3 2 6 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.03 14.08 6.31 3.68 2 34 0.2

Structural Alerts

There are 9 structural alerts for CHEMBL43723. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HJGAZEZOYHABKE-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL43723



PubChem 44292065
ZINC ZINC000029404973

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