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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1521211
CHEMBL1521211
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H15NO3S

Additional synonyms for CHEMBL1521211 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(NC(=O)Cc1cccs1)c2ccc3OCOc3c2
Standard InChI InChI=1S/C15H15NO3S/c1-10(16-15(17)8-12-3-2-6-20-12)11-4-5-1 ...
Download InChI
Standard InChI Key JYQRAADUVCMQRQ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1521211

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
289.4 289.0773 2.9 4 47.56 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 3.59 3.59 2 20 0.94

Structural Alerts

There are no structural alerts for CHEMBL1521211

Compound Cross References

ChemSpider ChemSpider:JYQRAADUVCMQRQ-UHFFFAOYSA-N
PubChem SID: 4263932

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1521211



eMolecules 2042344
Mcule MCULE-5390654943
MolPort MolPort-001-552-846
PubChem 2970888

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