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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2430599
CHEMBL2430599
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H12FN3O2S

Additional synonyms for CHEMBL2430599 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Fc1cccc(COc2ccc3N4C(=O)NN=C4CSc3c2)c1
Standard InChI InChI=1S/C16H12FN3O2S/c17-11-3-1-2-10(6-11)8-22-12-4-5-13-14 ...
Download InChI
Standard InChI Key QGBARDXLJAQSPO-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2430599

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
329.4 329.0634 2.88 3 59.91 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
5.61 - 2.1 .52 3 23 0.8

Structural Alerts

There are no structural alerts for CHEMBL2430599

Compound Cross References

ChemSpider ChemSpider:QGBARDXLJAQSPO-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2430599



PubChem 73347766
ZINC ZINC000096929625

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