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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2408704
CHEMBL2408704
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C21H19FN4O5S2

Additional synonyms for CHEMBL2408704 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOC1Oc2ccc(F)cc2C(=O)/C/1=C/Nc3ccc(cc3)S(=O)(=O)Nc4nnc(C)s4
Standard InChI InChI=1S/C21H19FN4O5S2/c1-3-30-20-17(19(27)16-10-13(22)4-9-1 ...
Download InChI
Standard InChI Key RELBGLXFYGLGMJ-BOPFTXTBSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2408704

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
490.5 490.0781 3.72 7 119.51 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 2 0 9 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
5.44 - 2.53 .63 3 33 0.48

Structural Alerts

There are 4 structural alerts for CHEMBL2408704. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RELBGLXFYGLGMJ-BOPFTXTBSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2408704



PubChem 72204318

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