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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1079767
CHEMBL1079767
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H16F5N3O3S

Additional synonyms for CHEMBL1079767 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cn(Cc2ccc(F)c(F)c2)c3c(cc(F)cc13)c4onc(NS(=O)(=O)c5ccc(F) ...
Download SMILES
Standard InChI InChI=1S/C25H16F5N3O3S/c1-13-11-33(12-14-2-4-19(27)21(29)6-1 ...
Download InChI
Standard InChI Key VDLWBLVYGLGZJT-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1079767

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
533.5 533.0833 6.15 6 77.13 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 2 6 1 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
5.3 - 5.55 3.8 5 37 0.27

Structural Alerts

There are 2 structural alerts for CHEMBL1079767. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VDLWBLVYGLGZJT-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1079767



BindingDB 50311627
IBM Patent System 08344608FEE127BD0BDD9ABDB1C61E95
PubChem 46879999
SureChEMBL SCHEMBL1925979
ZINC ZINC000049775057

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