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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3314472
CHEMBL3314472
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H12FN3OS

Additional synonyms for CHEMBL3314472 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cc(F)ccc1c2nc(cs2)c3ccc4NC(=O)Nc4c3
Standard InChI InChI=1S/C17H12FN3OS/c1-9-6-11(18)3-4-12(9)16-19-15(8-23-16) ...
Download InChI
Standard InChI Key FTJZJSPAXVCBBO-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3314472

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
325.4 325.0685 4.09 2 61.54 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.58 1.28 4.75 4.75 4 23 0.58

Structural Alerts

There are no structural alerts for CHEMBL3314472

Compound Cross References

ChemSpider ChemSpider:FTJZJSPAXVCBBO-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3314472



BindingDB 50046673
PubChem 73211783
SureChEMBL SCHEMBL17004752

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