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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1461453
CHEMBL1461453
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H10F6N4O2S

Additional synonyms for CHEMBL1461453 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES FC(F)(F)c1cc(cc(c1)S(=O)(=O)NNC(=N)c2ccccn2)C(F)(F)F
Standard InChI InChI=1S/C14H10F6N4O2S/c15-13(16,17)8-5-9(14(18,19)20)7-10(6 ...
Download InChI
Standard InChI Key VZGIBHYFTFEOPV-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1461453

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
412.3 412.0429 2.93 4 94.94 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 3 0 6 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 12.21 2.4 .38 2 27 0.31

Structural Alerts

There are 9 structural alerts for CHEMBL1461453. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VZGIBHYFTFEOPV-UHFFFAOYSA-N
PubChem SID: 26731066

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1461453



eMolecules 5784484
Mcule MCULE-3131963486
MolPort MolPort-002-920-072
PubChem 5703009 9580414 2739054
ZINC ZINC000013110635

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