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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL359066
CHEMBL359066
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C21H25FN4O4S

Additional synonyms for CHEMBL359066 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCN1C(=O)N(Cc2ccc(cc2)S(=O)(=O)F)c3[nH]c(nc3C1=O)C4CCCCC4
Standard InChI InChI=1S/C21H25FN4O4S/c1-2-12-25-20(27)17-19(24-18(23-17)15- ...
Download InChI
Standard InChI Key WAKCZXOWEGJALQ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL359066

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
448.5 448.1581 3.05 6 106.82 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 1 0 8 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.09 1.84 5.05 4.97 3 31 0.58

Structural Alerts

There are 14 structural alerts for CHEMBL359066. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WAKCZXOWEGJALQ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL359066



BindingDB 50095606
Nikkaji J1.473.390F
PubChem 10765882
PubChem: Thomson Pharma 15803452
ZINC ZINC000036123982

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