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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1523173
CHEMBL1523173
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H15NO3S

Additional synonyms for CHEMBL1523173 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(NC(=O)c1csc(C)c1)c2ccc3OCOc3c2
Standard InChI InChI=1S/C15H15NO3S/c1-9-5-12(7-20-9)15(17)16-10(2)11-3-4-13 ...
Download InChI
Standard InChI Key GIUMGRDEXUKDHN-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1523173

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 3.28 3 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
- - 3.23 3.23 2 20 0.94

Structural Alerts

There are no structural alerts for CHEMBL1523173

Compound Cross References

ChemSpider ChemSpider:GIUMGRDEXUKDHN-UHFFFAOYSA-N
PubChem SID: 4264341

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1523173



eMolecules 2040924
Mcule MCULE-7058664525
MolPort MolPort-001-552-843
PubChem 2970296

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