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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL393338
CHEMBL393338
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H19FN4O7S2

Additional synonyms for CHEMBL393338 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCc1oc(\C=C\2/SC(=NC2=O)N[C@H](C(=O)NS(=O)(=O)c3cccc(c3)[N+] ...
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Standard InChI InChI=1S/C24H19FN4O7S2/c1-2-17-10-11-18(36-17)13-20-22(30)27 ...
Download InChI
Standard InChI Key YVERUHTVQFIZMT-MSTPFNHUSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL393338

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
558.6 558.0679 3.7 8 160.98 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 2 1 11 2 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.19 - 3.56 1.59 3 38 0.24

Structural Alerts

There are 10 structural alerts for CHEMBL393338. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YVERUHTVQFIZMT-MSTPFNHUSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL393338



PubChem 44432153
ZINC ZINC000028822373

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