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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2348091
CHEMBL2348091
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H13N3O3S2

Additional synonyms for CHEMBL2348091 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)CCc1sc(\C=C\2/NC(=O)CS2)nc1c3ccccn3
Standard InChI InChI=1S/C15H13N3O3S2/c19-11-8-22-12(17-11)7-13-18-15(9-3-1- ...
Download InChI
Standard InChI Key FXCKSJPZDBQRLO-KPKJPENVSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2348091

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
347.4 347.0398 2.38 5 92.18 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 0 6 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.18 .71 1.58 -1.51 2 23 0.86

Structural Alerts

There are 1 structural alerts for CHEMBL2348091. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FXCKSJPZDBQRLO-KPKJPENVSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2348091



BindingDB 50431947
PubChem: Thomson Pharma 163553931
ZINC ZINC000095601814

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