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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2430598
CHEMBL2430598
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H12FN3O2S

Additional synonyms for CHEMBL2430598 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Fc1ccccc1COc2ccc3N4C(=O)NN=C4CSc3c2
Standard InChI InChI=1S/C16H12FN3O2S/c17-12-4-2-1-3-10(12)8-22-11-5-6-13-14 ...
Download InChI
Standard InChI Key JCCYWCDOVPCWDQ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2430598

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 - 2.02 .43 3 23 0.8

Structural Alerts

There are no structural alerts for CHEMBL2430598

Compound Cross References

ChemSpider ChemSpider:JCCYWCDOVPCWDQ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2430598



PubChem 73352371
ZINC ZINC000096929624

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