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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2430186
CHEMBL2430186
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H15N3O2S

Additional synonyms for CHEMBL2430186 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc(nc(\C=N\O)c1SC)c2cccc(C)n2
Standard InChI InChI=1S/C14H15N3O2S/c1-9-5-4-6-10(16-9)11-7-13(19-2)14(20-3 ...
Download InChI
Standard InChI Key UFSZPVKXDNGQHJ-OVCLIPMQSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2430186

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
289.4 289.0885 2.99 4 67.6 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.65 4.54 3.06 3.06 2 20 0.41

Structural Alerts

There are 7 structural alerts for CHEMBL2430186. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UFSZPVKXDNGQHJ-OVCLIPMQSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2430186



ZINC ZINC000096932477

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