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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL611735
CHEMBL611735
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C28H21F3N2O3S

Additional synonyms for CHEMBL611735 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)c3c(Cc4ccccc4)nc5c(cccn35)C(F)(F ...
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Standard InChI InChI=1S/C28H21F3N2O3S/c1-37(34,35)23-13-6-12-22(18-23)36-21 ...
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Standard InChI Key JQOXVKXWQCMPRP-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL611735

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
522.6 522.1225 6.81 6 60.67 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 0 2 5 0 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 6.59 6.29 6.22 5 37 0.25

Structural Alerts

There are no structural alerts for CHEMBL611735

Compound Cross References

ChemSpider ChemSpider:JQOXVKXWQCMPRP-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL611735



BindingDB 50378590
IBM Patent System 8C697BB3F2B45751BFB598FA5F8BC149
PubChem 42641405
PubChem: Thomson Pharma 81080817
SureChEMBL SCHEMBL1893002
ZINC ZINC000049775306

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