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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL279629
CHEMBL279629
Compound Name L-159913
ChEMBL Synonyms L-159913
Max Phase 0
Trade Names
Molecular Formula C33H29F3N4O4S

Additional synonyms for CHEMBL279629 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCC1=NN(C(=O)N1Cc2ccc(cc2)c3ccccc3S(=O)(=O)NC(=O)c4ccccc4) ...
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Standard InChI InChI=1S/C33H29F3N4O4S/c1-2-3-17-30-37-40(28-15-9-8-14-27(28 ...
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Standard InChI Key JVOGASLNIGJLLS-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL279629

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
634.7 634.1862 6.23 10 103.06 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 1 2 8 1 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.74 2.24 8.43 6.51 5 45 0.2

Structural Alerts

There are 1 structural alerts for CHEMBL279629. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JVOGASLNIGJLLS-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL279629



BindingDB 50030727
IBM Patent System 087E9F847E14D52B873E644ADBC05510
Nikkaji J602.192A
PubChem 9939191
PubChem: Thomson Pharma 14912391
SureChEMBL SCHEMBL9144158
ZINC ZINC000003922573

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