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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1571209
CHEMBL1571209
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C11H15N3O3S

Additional synonyms for CHEMBL1571209 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOC(=O)CSc1cc(C)nc(NC(=O)C)n1
Standard InChI InChI=1S/C11H15N3O3S/c1-4-17-10(16)6-18-9-5-7(2)12-11(14-9)1 ...
Download InChI
Standard InChI Key KXCQQQHZZPHFKL-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1571209

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
269.3 269.0834 1.4 5 81.18 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.09 - .76 .76 1 18 0.49

Structural Alerts

There are 2 structural alerts for CHEMBL1571209. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:KXCQQQHZZPHFKL-UHFFFAOYSA-N
PubChem SID: 853327

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1571209



eMolecules 940258
Mcule MCULE-9855071897
MolPort MolPort-001-959-850
PubChem 655986
ZINC ZINC000000182351

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