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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1782363
CHEMBL1782363
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H17FN2S

Additional synonyms for CHEMBL1782363 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Fc1ccccc1Sc2ccc3CC4CNCCN4c3c2
Standard InChI InChI=1S/C17H17FN2S/c18-15-3-1-2-4-17(15)21-14-6-5-12-9-13-1 ...
Download InChI
Standard InChI Key FIZHFFJIUODSTI-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1782363

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
300.4 300.1096 3.31 2 15.27 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 2 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.27 1.14 .07 2 21 0.92

Structural Alerts

There are no structural alerts for CHEMBL1782363

Compound Cross References

ChemSpider ChemSpider:FIZHFFJIUODSTI-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1782363



BindingDB 50346252
PubChem 54586997

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