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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2348951
CHEMBL2348951
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H10F3N5S

Additional synonyms for CHEMBL2348951 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES FC(F)(F)c1cccc(Sc2ccc3nnc(c4ccncc4)n3n2)c1
Standard InChI InChI=1S/C17H10F3N5S/c18-17(19,20)12-2-1-3-13(10-12)26-15-5- ...
Download InChI
Standard InChI Key HYHMMLICYDEWBR-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2348951

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
373.4 373.0609 4.36 3 55.97 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 0 0 5 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 1.45 3.56 3.56 4 26 0.53

Structural Alerts

There are no structural alerts for CHEMBL2348951

Compound Cross References

ChemSpider ChemSpider:HYHMMLICYDEWBR-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2348951



BindingDB 50432058
PubChem 71578757
PubChem: Thomson Pharma 163623986
ZINC ZINC000095602981

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