ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL288274
CHEMBL288274
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H9N3OS

Additional synonyms for CHEMBL288274 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES o1c(nnc1c2nsc3ccccc23)c4ccccc4
Standard InChI InChI=1S/C15H9N3OS/c1-2-6-10(7-3-1)14-16-17-15(19-14)13-11-8 ...
Download InChI
Standard InChI Key LQCNYQSVWRBJNB-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL288274

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
279.3 279.0466 4.01 2 51.81 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 0 0 4 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 4.59 4.59 4 20 0.56

Structural Alerts

There are no structural alerts for CHEMBL288274

Compound Cross References

ChemSpider ChemSpider:LQCNYQSVWRBJNB-UHFFFAOYSA-N
PubChem SID: 505878

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL288274



PubChem 374723
PubChem: Thomson Pharma 15491835
ZINC ZINC000001633445

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