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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL248217
CHEMBL248217
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H18F4N6OS

Additional synonyms for CHEMBL248217 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Fc1c(cccc1C(F)(F)F)c2csc(NC(=O)c3ccc(Nc4cc(ncn4)N5CCC5)cc3)n ...
Download SMILES
Standard InChI InChI=1S/C24H18F4N6OS/c25-21-16(3-1-4-17(21)24(26,27)28)18-1 ...
Download InChI
Standard InChI Key BIXPZICKNFMWJX-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL248217

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
514.5 514.1199 5.96 6 83.04 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.08 5.78 6.43 5.88 4 36 0.31

Structural Alerts

There are 2 structural alerts for CHEMBL248217. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BIXPZICKNFMWJX-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL248217



BindingDB 50219633
IBM Patent System 425272AAFF4E04442A465AE3196F8B41
PubChem 11613221
PubChem: Thomson Pharma 16716057
SureChEMBL SCHEMBL4877408
ZINC ZINC000028952854

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