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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1834388
CHEMBL1834388
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C7H6N4S

Additional synonyms for CHEMBL1834388 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1nccc(n1)c2nccs2
Standard InChI InChI=1S/C7H6N4S/c8-7-10-2-1-5(11-7)6-9-3-4-12-6/h1-4H,(H2,8 ...
Download InChI
Standard InChI Key ZYOUDRQLSINHSE-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1834388

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
178.2 178.0313 1.18 1 64.69 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 1.98 .71 .71 2 12 0.71

Structural Alerts

There are 1 structural alerts for CHEMBL1834388. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZYOUDRQLSINHSE-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1834388



BindingDB 50354818
eMolecules 30424731
EPA CompTox Dashboard DTXSID50399698
IBM Patent System 6E4A454EE0F01547CD4AF9A613AE6817
MolPort MolPort-020-915-617
PubChem 4131872
SureChEMBL SCHEMBL3044712
ZINC ZINC000006865143

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